Stem definition | Drug id | CAS RN |
---|---|---|
analgesic anti-inflammatory | 2416 | 69-72-7 |
Dose | Unit | Route |
---|---|---|
3 | g | O |
3 | g | O |
7 | g | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 2.51 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 15 % | Benet LZ, Broccatelli F, Oprea TI |
BA (Bioavailability) | 99 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1898 | YEAR INTRODUCED |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Completed suicide | 399.12 | 18.53 | 197 | 4127 | 133636 | 56154107 |
Toxicity to various agents | 185.02 | 18.53 | 146 | 4178 | 224418 | 56063325 |
Skin burning sensation | 134.83 | 18.53 | 45 | 4279 | 10986 | 56276757 |
Erythema | 116.60 | 18.53 | 96 | 4228 | 155843 | 56131900 |
Acne | 103.01 | 18.53 | 44 | 4280 | 21092 | 56266651 |
Skin irritation | 93.48 | 18.53 | 32 | 4292 | 8423 | 56279320 |
Dry skin | 90.48 | 18.53 | 52 | 4272 | 47057 | 56240686 |
Broncholithiasis | 86.67 | 18.53 | 15 | 4309 | 208 | 56287535 |
Skin exfoliation | 82.46 | 18.53 | 45 | 4279 | 36855 | 56250888 |
Lymph node calcification | 82.28 | 18.53 | 15 | 4309 | 284 | 56287459 |
Drug hypersensitivity | 78.85 | 18.53 | 101 | 4223 | 275104 | 56012639 |
Bronchial wall thickening | 63.07 | 18.53 | 15 | 4309 | 1065 | 56286678 |
Pain of skin | 62.82 | 18.53 | 24 | 4300 | 8622 | 56279121 |
Exposure via ingestion | 44.66 | 18.53 | 14 | 4310 | 2794 | 56284949 |
Lichen nitidus | 42.28 | 18.53 | 7 | 4317 | 73 | 56287670 |
Suspected suicide | 39.08 | 18.53 | 15 | 4309 | 5451 | 56282292 |
Skin swelling | 33.54 | 18.53 | 11 | 4313 | 2535 | 56285208 |
Lower respiratory tract infection viral | 30.76 | 18.53 | 8 | 4316 | 819 | 56286924 |
Obstructive airways disorder | 30.29 | 18.53 | 18 | 4306 | 17264 | 56270479 |
Chemical burn of skin | 30.21 | 18.53 | 5 | 4319 | 52 | 56287691 |
Soft tissue necrosis | 24.98 | 18.53 | 6 | 4318 | 444 | 56287299 |
Sexual abuse | 23.68 | 18.53 | 5 | 4319 | 206 | 56287537 |
Psoriasis | 23.28 | 18.53 | 32 | 4292 | 92660 | 56195083 |
Skin hyperpigmentation | 22.26 | 18.53 | 10 | 4314 | 5387 | 56282356 |
Nasal congestion | 21.48 | 18.53 | 24 | 4300 | 56346 | 56231397 |
Palmoplantar keratoderma | 20.44 | 18.53 | 4 | 4320 | 112 | 56287631 |
Therapeutic product effect incomplete | 20.00 | 18.53 | 32 | 4292 | 105999 | 56181744 |
Productive cough | 19.83 | 18.53 | 23 | 4301 | 56209 | 56231534 |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Completed suicide | 296.25 | 21.48 | 153 | 2894 | 91361 | 31602936 |
Toxicity to various agents | 96.76 | 21.48 | 102 | 2945 | 181385 | 31512912 |
Choroiditis | 64.00 | 21.48 | 16 | 3031 | 1116 | 31693181 |
Skin burning sensation | 63.78 | 21.48 | 21 | 3026 | 3918 | 31690379 |
Acne | 53.90 | 21.48 | 24 | 3023 | 10136 | 31684161 |
Endophthalmitis | 53.45 | 21.48 | 18 | 3029 | 3598 | 31690699 |
Erythema | 44.02 | 21.48 | 46 | 3001 | 80359 | 31613938 |
Dry skin | 37.96 | 21.48 | 26 | 3021 | 25455 | 31668842 |
Intraocular pressure increased | 36.59 | 21.48 | 15 | 3032 | 5172 | 31689125 |
Uveitis | 35.82 | 21.48 | 16 | 3031 | 6800 | 31687497 |
Appendicolith | 35.15 | 21.48 | 15 | 3032 | 5716 | 31688581 |
Visual acuity reduced | 33.67 | 21.48 | 20 | 3027 | 15323 | 31678974 |
Palmar-plantar erythrodysaesthesia syndrome | 30.93 | 21.48 | 19 | 3028 | 15464 | 31678833 |
Appendicitis | 30.66 | 21.48 | 17 | 3030 | 11448 | 31682849 |
Chondritis | 30.01 | 21.48 | 6 | 3041 | 149 | 31694148 |
Psoriasis | 29.68 | 21.48 | 29 | 3018 | 46690 | 31647607 |
Eye pain | 29.54 | 21.48 | 17 | 3030 | 12287 | 31682010 |
Condition aggravated | 27.26 | 21.48 | 53 | 2994 | 163956 | 31530341 |
Exposure via ingestion | 25.71 | 21.48 | 9 | 3038 | 2016 | 31692281 |
Skin exfoliation | 23.50 | 21.48 | 19 | 3028 | 23855 | 31670442 |
Suspected suicide | 22.73 | 21.48 | 10 | 3037 | 4097 | 31690200 |
Post inflammatory pigmentation change | 21.64 | 21.48 | 5 | 3042 | 249 | 31694048 |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Completed suicide | 647.84 | 18.06 | 351 | 6588 | 226784 | 70694721 |
Toxicity to various agents | 256.12 | 18.06 | 245 | 6694 | 381927 | 70539578 |
Skin burning sensation | 176.36 | 18.06 | 59 | 6880 | 11367 | 70910138 |
Acne | 131.51 | 18.06 | 59 | 6880 | 24930 | 70896575 |
Erythema | 129.30 | 18.06 | 126 | 6813 | 199437 | 70722068 |
Dry skin | 116.76 | 18.06 | 71 | 6868 | 55860 | 70865645 |
Skin irritation | 102.48 | 18.06 | 38 | 6901 | 9871 | 70911634 |
Skin exfoliation | 92.01 | 18.06 | 58 | 6881 | 48568 | 70872937 |
Broncholithiasis | 77.11 | 18.06 | 14 | 6925 | 200 | 70921305 |
Lymph node calcification | 69.01 | 18.06 | 14 | 6925 | 368 | 70921137 |
Exposure via ingestion | 66.48 | 18.06 | 23 | 6916 | 4892 | 70916613 |
Pain of skin | 59.65 | 18.06 | 26 | 6913 | 10240 | 70911265 |
Choroiditis | 56.69 | 18.06 | 15 | 6924 | 1286 | 70920219 |
Drug hypersensitivity | 54 | 18.06 | 94 | 6845 | 262365 | 70659140 |
Suspected suicide | 53.37 | 18.06 | 23 | 6916 | 8811 | 70912694 |
Psoriasis | 47.15 | 18.06 | 53 | 6886 | 98380 | 70823125 |
Palmar-plantar erythrodysaesthesia syndrome | 44.84 | 18.06 | 31 | 6908 | 30216 | 70891289 |
Bronchial wall thickening | 44.81 | 18.06 | 14 | 6925 | 2165 | 70919340 |
Lichen nitidus | 40.33 | 18.06 | 7 | 6932 | 76 | 70921429 |
Endophthalmitis | 40.15 | 18.06 | 17 | 6922 | 6238 | 70915267 |
Chemical burn of skin | 37.64 | 18.06 | 7 | 6932 | 115 | 70921390 |
Appendicolith | 35.01 | 18.06 | 15 | 6924 | 5665 | 70915840 |
Soft tissue necrosis | 34.07 | 18.06 | 9 | 6930 | 766 | 70920739 |
Skin swelling | 32.33 | 18.06 | 12 | 6927 | 3119 | 70918386 |
Appendicitis | 26.81 | 18.06 | 18 | 6921 | 16715 | 70904790 |
Intraocular pressure increased | 25.77 | 18.06 | 14 | 6925 | 8887 | 70912618 |
Poisoning | 24.08 | 18.06 | 19 | 6920 | 22603 | 70898902 |
Chondritis | 23.94 | 18.06 | 5 | 6934 | 152 | 70921353 |
Visual acuity reduced | 22.57 | 18.06 | 20 | 6919 | 27910 | 70893595 |
Lower respiratory tract infection viral | 22.32 | 18.06 | 7 | 6932 | 1095 | 70920410 |
Uveitis | 21.49 | 18.06 | 15 | 6924 | 14830 | 70906675 |
Sensitive skin | 21.15 | 18.06 | 7 | 6932 | 1300 | 70920205 |
Dermatitis | 20.01 | 18.06 | 16 | 6923 | 19401 | 70902104 |
Eye pain | 19.17 | 18.06 | 20 | 6919 | 34082 | 70887423 |
Post inflammatory pigmentation change | 19.09 | 18.06 | 5 | 6934 | 412 | 70921093 |
Palmoplantar keratoderma | 18.72 | 18.06 | 5 | 6934 | 444 | 70921061 |
None
Source | Code | Description |
---|---|---|
ATC | D01AE12 | DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Other antifungals for topical use |
ATC | N02BA03 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives |
ATC | N02BA04 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives |
ATC | N02BA08 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives |
ATC | N02BA12 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives |
ATC | N02BA16 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives |
ATC | S01BC08 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIINFLAMMATORY AGENTS Antiinflammatory agents, non-steroids |
MeSH PA | D000700 | Analgesics |
MeSH PA | D018712 | Analgesics, Non-Narcotic |
MeSH PA | D000893 | Anti-Inflammatory Agents |
MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
MeSH PA | D018501 | Antirheumatic Agents |
MeSH PA | D016861 | Cyclooxygenase Inhibitors |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D018689 | Sensory System Agents |
CHEBI has role | CHEBI:35441 | antiinfective agents |
CHEBI has role | CHEBI:35718 | antifungal agents |
CHEBI has role | CHEBI:37848 | plant hormones |
CHEBI has role | CHEBI:50176 | keratolytic drugs |
CHEBI has role | CHEBI:73181 | ascorbate peroxidase inhibitor |
CHEBI has role | CHEBI:76924 | plant metabolites |
CHEBI has role | CHEBI:84735 | algal metabolites |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D000935 | Antifungal Agents |
MeSH PA | D003879 | Dermatologic Agents |
MeSH PA | D007641 | Keratolytic Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Tinea pedis | indication | 6020002 | DOID:12403 |
Pain | indication | 22253000 | |
Greasy skin | indication | 42273000 | |
Seborrheic dermatitis | indication | 50563003 | DOID:8741 |
Allergic rhinitis | indication | 61582004 | |
Verruca plantaris | indication | 63440008 | DOID:13775 |
Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
Common cold | indication | 82272006 | DOID:10459 |
Tinea corporis | indication | 84849002 | |
Acne vulgaris | indication | 88616000 | |
Pityriasis simplex | indication | 200767005 | |
Disorder of keratinization | indication | 277905003 | |
Fever | indication | 386661006 | |
Hyperkeratosis | indication | 396228006 | |
Osteoarthritis | indication | 396275006 | |
Synovitis | indication | 416209007 | DOID:2703 |
Calluses and Corns | indication | ||
Crohn's disease | off-label use | 34000006 | |
Tendinitis | off-label use | 34840004 | DOID:971 |
Rheumatic fever | off-label use | 58718002 | DOID:1586 |
Ulcerative colitis | off-label use | 64766004 | DOID:8577 |
Tenosynovitis | off-label use | 67801009 | DOID:970 |
Juvenile rheumatoid arthritis | off-label use | 410795001 | |
Itching of skin | off-label use | 418363000 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 2.81 | acidic |
pKa2 | 12.79 | acidic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 2 | Enzyme | Ki | 5.15 | CHEMBL | |||||
Carbonic anhydrase 1 | Enzyme | Ki | 5 | CHEMBL | |||||
Carbonic anhydrase 4 | Enzyme | Ki | 4.95 | CHEMBL | |||||
Carbonic anhydrase 9 | Enzyme | Ki | 4.10 | CHEMBL | |||||
Carbonic anhydrase 12 | Enzyme | Ki | 5.06 | CHEMBL | |||||
Carbonic anhydrase 7 | Enzyme | Ki | 4.09 | CHEMBL | |||||
Carbonic anhydrase 6 | Enzyme | Ki | 4.92 | CHEMBL | |||||
Carbonic anhydrase 14 | Enzyme | Ki | 4.30 | CHEMBL | |||||
High mobility group protein B1 | Nuclear other | Kd | 6 | CHEMBL | |||||
Nicotinate phosphoribosyltransferase | Enzyme | Ki | 9.80 | CHEMBL | |||||
Salicylic acid-binding protein 2 | Enzyme | WOMBAT-PK | |||||||
Carbonic anhydrase 13 | Enzyme | Ki | 4.17 | CHEMBL | |||||
Polyphenol oxidase 2 | Enzyme | IC50 | 4 | CHEMBL | |||||
Carbonic anhydrase 15 | Enzyme | Ki | 5.14 | CHEMBL | |||||
Solute carrier family 22 member 20 | Transporter | Ki | 4.36 | CHEMBL |
ID | Source |
---|---|
4018663 | VUID |
N0000146974 | NUI |
D00097 | KEGG_DRUG |
2016-36-6 | SECONDARY_CAS_RN |
36364-49-5 | SECONDARY_CAS_RN |
4018419 | VANDF |
4018434 | VANDF |
4018663 | VANDF |
4018996 | VANDF |
C0036079 | UMLSCUI |
CHEBI:16914 | CHEBI |
SAL | PDB_CHEM_ID |
CHEMBL424 | ChEMBL_ID |
DB00936 | DRUGBANK_ID |
CHEMBL2104095 | ChEMBL_ID |
CHEMBL2104788 | ChEMBL_ID |
CHEMBL447868 | ChEMBL_ID |
D020156 | MESH_DESCRIPTOR_UI |
338 | PUBCHEM_CID |
C015075 | MESH_SUPPLEMENTAL_RECORD_UI |
4306 | IUPHAR_LIGAND_ID |
54-21-7 | SECONDARY_CAS_RN |
147-90-0 | SECONDARY_CAS_RN |
578-36-9 | SECONDARY_CAS_RN |
O414PZ4LPZ | UNII |
DB14006 | DRUGBANK_ID |
DB13860 | DRUGBANK_ID |
20974 | RXNORM |
4438 | MMSL |
5235 | MMSL |
5439 | MMSL |
5494 | MMSL |
9170 | MMSL |
d00492 | MMSL |
d00843 | MMSL |
001586 | NDDF |
001590 | NDDF |
001592 | NDDF |
001951 | NDDF |
005692 | NDDF |
006027 | NDDF |
370179008 | SNOMEDCT_US |
387253001 | SNOMEDCT_US |
387411000 | SNOMEDCT_US |
46741005 | SNOMEDCT_US |
65302009 | SNOMEDCT_US |
72968006 | SNOMEDCT_US |
D012980 | MESH_DESCRIPTOR_UI |
CHEMBL3707214 | ChEMBL_ID |
CHEMBL3707342 | ChEMBL_ID |
1938 | INN_ID |
5485 | INN_ID |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
SKIN MEDICA Purifying Foaming Wash | HUMAN OTC DRUG LABEL | 1 | 0023-4948 | LIQUID | 20 mg | TOPICAL | OTC monograph final | 10 sections |
Zapzyt Acne Wash Cleanser | HUMAN OTC DRUG LABEL | 1 | 0295-0071 | GEL | 2 g | TOPICAL | OTC monograph final | 9 sections |
Zapzyt Acne Wash Cleanser | HUMAN OTC DRUG LABEL | 1 | 0295-9055 | GEL | 2 g | TOPICAL | OTC monograph final | 10 sections |
Cetaphil Gentle Clear Mattifying Acne Moisturizer | HUMAN OTC DRUG LABEL | 1 | 0299-4117 | LOTION | 5 mg | TOPICAL | OTC monograph final | 9 sections |
Cetaphil Gentle Clear Mattifying Acne Moisturizer | HUMAN OTC DRUG LABEL | 1 | 0299-4117 | LOTION | 5 mg | TOPICAL | OTC monograph final | 9 sections |
Cetaphil Gentle Clear Clarifying Acne Cleanser | HUMAN OTC DRUG LABEL | 1 | 0299-4119 | CREAM | 20 mg | TOPICAL | OTC monograph final | 10 sections |
Cetaphil Gentle Clear Clarifying Acne Cleanser | HUMAN OTC DRUG LABEL | 1 | 0299-4119 | CREAM | 20 mg | TOPICAL | OTC monograph final | 10 sections |
Cetaphil Acne Relief Body Wash | HUMAN OTC DRUG LABEL | 1 | 0299-4121 | GEL | 20 mg | TOPICAL | OTC monograph final | 10 sections |
Cetaphil Acne Relief Body Wash | HUMAN OTC DRUG LABEL | 1 | 0299-4121 | GEL | 20 mg | TOPICAL | OTC monograph final | 10 sections |
Differin Acne Clearing Body Wash | HUMAN OTC DRUG LABEL | 1 | 0299-4131 | GEL | 20 mg | TOPICAL | OTC monograph final | 11 sections |
Differin Acne Clearing Body | HUMAN OTC DRUG LABEL | 1 | 0299-4132 | AEROSOL, SPRAY | 2 g | TOPICAL | OTC monograph final | 11 sections |
Cetaphil Gentle Clear Triple-Action Acne Serum | HUMAN OTC DRUG LABEL | 1 | 0299-4135 | SOLUTION | 5 mg | TOPICAL | OTC monograph final | 9 sections |
Differin Acne Clearing Body Scrub | HUMAN OTC DRUG LABEL | 1 | 0299-4609 | LIQUID | 20 mg | TOPICAL | OTC monograph final | 10 sections |
Differin Acne Clearing Body Scrub | HUMAN OTC DRUG LABEL | 1 | 0299-4609 | LIQUID | 20 mg | TOPICAL | OTC monograph final | 10 sections |
Almay Clear Complexion Liquid Makeup for Oily Skin | HUMAN OTC DRUG LABEL | 1 | 0311-0715 | LIQUID | 0.50 mg | TOPICAL | OTC monograph final | 7 sections |
Almay Clear Complexion Blemish Healing Spot Concealer | HUMAN OTC DRUG LABEL | 1 | 0311-0716 | LIQUID | 2 mg | TOPICAL | OTC monograph final | 8 sections |
Almay Clear Complexion Blemish Healing Spot Concealer | HUMAN OTC DRUG LABEL | 1 | 0311-0718 | LIQUID | 0.01 g | TOPICAL | OTC monograph final | 8 sections |
Almay Clear Complexion Liquid Makeup | HUMAN OTC DRUG LABEL | 1 | 0311-0720 | LIQUID | 2 mg | TOPICAL | OTC monograph final | 8 sections |
Almay Clear Complexion Pressed Powder | HUMAN OTC DRUG LABEL | 1 | 0311-0721 | POWDER | 0.00 g | TOPICAL | OTC monograph final | 8 sections |
Almay Clear Complexion Blemish Armor | HUMAN OTC DRUG LABEL | 1 | 0311-0722 | LIQUID | 2 mg | TOPICAL | OTC monograph final | 10 sections |
ALMAY CLEAR COMPLEXION MAKEUP | HUMAN OTC DRUG LABEL | 1 | 0311-0724 | EMULSION | 1 mg | TOPICAL | OTC monograph final | 7 sections |
ALMAY CLEAR COMPLEXION CONCEALER | HUMAN OTC DRUG LABEL | 1 | 0311-0725 | LIQUID | 2 mg | TOPICAL | OTC monograph final | 8 sections |
Salicylic acid | HUMAN OTC DRUG LABEL | 1 | 0363-0017 | CREAM | 5.05 mg | TOPICAL | OTC monograph final | 10 sections |
Salicylic acid | HUMAN OTC DRUG LABEL | 1 | 0363-0017 | CREAM | 5.05 mg | TOPICAL | OTC monograph final | 10 sections |
Charcoal Blackhead Clearing Scrub | HUMAN OTC DRUG LABEL | 1 | 0363-0027 | CREAM | 20.60 mg | TOPICAL | OTC monograph final | 11 sections |
Charcoal Blackhead Clearing Scrub | HUMAN OTC DRUG LABEL | 1 | 0363-0027 | CREAM | 20.60 mg | TOPICAL | OTC monograph final | 11 sections |
Salicylic Acid | HUMAN OTC DRUG LABEL | 1 | 0363-0203 | PATCH | 40 mg | TOPICAL | OTC monograph final | 12 sections |
Salicylic Acid | HUMAN OTC DRUG LABEL | 1 | 0363-0219 | GEL | 0.17 g | TOPICAL | OTC monograph final | 14 sections |
Oil-Free Daily Face | HUMAN OTC DRUG LABEL | 1 | 0363-0480 | CREAM | 2 g | TOPICAL | OTC monograph final | 8 sections |
Walgreens Oil-Free Acne Wash | HUMAN OTC DRUG LABEL | 1 | 0363-0536 | SOLUTION | 2 g | TOPICAL | OTC monograph final | 9 sections |