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 | 409.65 | 19.61 | 197 | 3545 | 131692 | 50469690 |
Toxicity to various agents | 181.79 | 19.61 | 139 | 3603 | 212360 | 50389022 |
Skin burning sensation | 140.07 | 19.61 | 45 | 3697 | 10140 | 50591242 |
Erythema | 125.31 | 19.61 | 96 | 3646 | 146318 | 50455064 |
Skin irritation | 97.52 | 19.61 | 32 | 3710 | 7695 | 50593687 |
Dry skin | 93.80 | 19.61 | 51 | 3691 | 43140 | 50558242 |
Skin exfoliation | 88.06 | 19.61 | 45 | 3697 | 33567 | 50567815 |
Drug hypersensitivity | 81.13 | 19.61 | 96 | 3646 | 250914 | 50350468 |
Pain of skin | 62.00 | 19.61 | 23 | 3719 | 7924 | 50593458 |
Broncholithiasis | 57.30 | 19.61 | 10 | 3732 | 152 | 50601230 |
Lymph node calcification | 53.46 | 19.61 | 10 | 3732 | 228 | 50601154 |
Exposure via ingestion | 45.21 | 19.61 | 14 | 3728 | 2789 | 50598593 |
Lichen nitidus | 42.55 | 19.61 | 7 | 3735 | 73 | 50601309 |
Bronchial wall thickening | 40.15 | 19.61 | 10 | 3732 | 895 | 50600487 |
Suspected suicide | 39.94 | 19.61 | 15 | 3727 | 5342 | 50596040 |
Skin swelling | 35.77 | 19.61 | 11 | 3731 | 2141 | 50599241 |
Chemical burn of skin | 30.40 | 19.61 | 5 | 3737 | 52 | 50601330 |
Soft tissue necrosis | 25.87 | 19.61 | 6 | 3736 | 397 | 50600985 |
Sexual abuse | 25.67 | 19.61 | 5 | 3737 | 142 | 50601240 |
Skin hyperpigmentation | 22.84 | 19.61 | 10 | 3732 | 5266 | 50596116 |
Palmoplantar keratoderma | 20.70 | 19.61 | 4 | 3738 | 109 | 50601273 |
Drug clearance decreased | 19.63 | 19.61 | 6 | 3736 | 1143 | 50600239 |
Obstructive airways disorder | 19.62 | 19.61 | 13 | 3729 | 15639 | 50585743 |
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 | 309.62 | 20.46 | 153 | 2486 | 90093 | 29481795 |
Toxicity to various agents | 107.15 | 20.46 | 102 | 2537 | 173559 | 29398329 |
Skin burning sensation | 66.77 | 20.46 | 21 | 2618 | 3652 | 29568236 |
Choroiditis | 57.07 | 20.46 | 14 | 2625 | 974 | 29570914 |
Endophthalmitis | 50.58 | 20.46 | 16 | 2623 | 2832 | 29569056 |
Erythema | 49.34 | 20.46 | 46 | 2593 | 75560 | 29496328 |
Dry skin | 39.35 | 20.46 | 25 | 2614 | 23282 | 29548606 |
Intraocular pressure increased | 31.85 | 20.46 | 13 | 2626 | 4776 | 29567112 |
Chondritis | 30.65 | 20.46 | 6 | 2633 | 144 | 29571744 |
Palmar-plantar erythrodysaesthesia syndrome | 30.44 | 20.46 | 18 | 2621 | 14741 | 29557147 |
Visual acuity reduced | 30.31 | 20.46 | 18 | 2621 | 14858 | 29557030 |
Psoriasis | 27.77 | 20.46 | 23 | 2616 | 32204 | 29539684 |
Exposure via ingestion | 26.40 | 20.46 | 9 | 2630 | 2009 | 29569879 |
Eye pain | 26.18 | 20.46 | 15 | 2624 | 11580 | 29560308 |
Skin exfoliation | 25.66 | 20.46 | 19 | 2620 | 22626 | 29549262 |
Suspected suicide | 23.66 | 20.46 | 10 | 2629 | 4010 | 29567878 |
Post inflammatory pigmentation change | 22.09 | 20.46 | 5 | 2634 | 245 | 29571643 |
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 | 670.32 | 16.99 | 351 | 5639 | 224063 | 64268679 |
Toxicity to various agents | 264.12 | 16.99 | 238 | 5752 | 363275 | 64129467 |
Skin burning sensation | 183.86 | 16.99 | 59 | 5931 | 10524 | 64482218 |
Erythema | 142.02 | 16.99 | 126 | 5864 | 186944 | 64305798 |
Dry skin | 120.72 | 16.99 | 69 | 5921 | 51092 | 64441650 |
Skin irritation | 107.20 | 16.99 | 38 | 5952 | 9156 | 64483586 |
Skin exfoliation | 99.12 | 16.99 | 58 | 5932 | 44827 | 64447915 |
Exposure via ingestion | 67.71 | 16.99 | 23 | 5967 | 4879 | 64487863 |
Pain of skin | 59.42 | 16.99 | 25 | 5965 | 9522 | 64483220 |
Drug hypersensitivity | 57.50 | 16.99 | 89 | 5901 | 237726 | 64255016 |
Suspected suicide | 54.99 | 16.99 | 23 | 5967 | 8631 | 64484111 |
Choroiditis | 50.27 | 16.99 | 13 | 5977 | 1074 | 64491668 |
Broncholithiasis | 49.08 | 16.99 | 9 | 5981 | 144 | 64492598 |
Palmar-plantar erythrodysaesthesia syndrome | 45.24 | 16.99 | 30 | 5960 | 28789 | 64463953 |
Lymph node calcification | 42.48 | 16.99 | 9 | 5981 | 310 | 64492432 |
Lichen nitidus | 40.69 | 16.99 | 7 | 5983 | 76 | 64492666 |
Chemical burn of skin | 38.06 | 16.99 | 7 | 5983 | 114 | 64492628 |
Endophthalmitis | 36.59 | 16.99 | 15 | 5975 | 5350 | 64487392 |
Soft tissue necrosis | 35.60 | 16.99 | 9 | 5981 | 679 | 64492063 |
Skin swelling | 34.40 | 16.99 | 12 | 5978 | 2754 | 64489988 |
Psoriasis | 33.19 | 16.99 | 37 | 5953 | 71666 | 64421076 |
Bronchial wall thickening | 26.54 | 16.99 | 9 | 5981 | 1898 | 64490844 |
Poisoning | 25.53 | 16.99 | 19 | 5971 | 21860 | 64470882 |
Chondritis | 24.37 | 16.99 | 5 | 5985 | 147 | 64492595 |
Sensitive skin | 23.17 | 16.99 | 7 | 5983 | 1020 | 64491722 |
Dermatitis | 21.81 | 16.99 | 16 | 5974 | 18013 | 64474729 |
Intraocular pressure increased | 21.72 | 16.99 | 12 | 5978 | 8290 | 64484452 |
Inappropriate schedule of product administration | 21.48 | 16.99 | 34 | 5956 | 92252 | 64400490 |
Visual acuity reduced | 19.93 | 16.99 | 18 | 5972 | 27123 | 64465619 |
Post inflammatory pigmentation change | 19.39 | 16.99 | 5 | 5985 | 408 | 64492334 |
Palmoplantar keratoderma | 19.24 | 16.99 | 5 | 5985 | 421 | 64492321 |
Cardio-respiratory arrest | 18.56 | 16.99 | 33 | 5957 | 98360 | 64394382 |
Scab | 18.17 | 16.99 | 11 | 5979 | 9011 | 64483731 |
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 |
---|---|---|---|---|---|---|---|---|---|
High mobility group protein B1 | Nuclear other | Kd | 6 | CHEMBL | |||||
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 | |||||
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 |
54-21-7 | SECONDARY_CAS_RN |
147-90-0 | SECONDARY_CAS_RN |
578-36-9 | 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 |
CHEMBL3707214 | ChEMBL_ID |
CHEMBL3707342 | ChEMBL_ID |
D020156 | MESH_DESCRIPTOR_UI |
338 | PUBCHEM_CID |
C015075 | MESH_SUPPLEMENTAL_RECORD_UI |
4306 | IUPHAR_LIGAND_ID |
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 |
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 |
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 |
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 |
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 |
Walgreens Medicated Callus Removers | HUMAN OTC DRUG LABEL | 1 | 0363-0819 | DISC | 17.67 mg | TOPICAL | OTC monograph final | 13 sections |
Acne Scrub | HUMAN OTC DRUG LABEL | 1 | 0363-0821 | GEL | 21 mg | TOPICAL | OTC monograph final | 11 sections |
Acne Scrub | HUMAN OTC DRUG LABEL | 1 | 0363-0821 | GEL | 21 mg | TOPICAL | OTC monograph final | 11 sections |
WALGREENSPINK GRAPEFRUIT | HUMAN OTC DRUG LABEL | 1 | 0363-0828 | LIQUID | 20 mg | TOPICAL | OTC monograph final | 13 sections |