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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3524 | 108-46-3 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IRAK1,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2 | 69 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2D,CDK9,DDR1,DYRK1B,GRK2,MAP2K6,MAP3K21,MAPK7,PIK3CB,PIK3CD,PRKDC,SIK2,SIK3,STK33,TGFBR1,TTK,ULK1 | 21 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | D10AX02 | DERMATOLOGICALS ANTI-ACNE PREPARATIONS ANTI-ACNE PREPARATIONS FOR TOPICAL USE Other anti-acne preparations for topical use |
| ATC | S01AX06 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIINFECTIVES Other antiinfectives |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| CHEBI has role | CHEBI:91025 | erythropoietin inhibitor |
| CHEBI has role | CHEBI:139492 | sensitiser |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Acne vulgaris | indication | 88616000 | |
| Skin irritation | indication | 367466007 | |
| Acneiform eruption | indication | 402644006 | |
| Itching of skin | indication | 418363000 | |
| Minor Skin Wound Pain | indication | ||
| Folliculitis | contraindication | 13600006 | DOID:4409 |
| Infection of skin AND/OR subcutaneous tissue | contraindication | 19824006 | |
| Methemoglobinemia | contraindication | 38959009 | DOID:10783 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Decreased respiratory function | contraindication | 80954004 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Deficiency of glucose-6-phosphate dehydrogenase | contraindication | 124134002 | DOID:2862 |
| Deficiency of cytochrome-b>5< reductase | contraindication | 124184009 | |
| Open wound | contraindication | 125643001 | |
| Seizure disorder | contraindication | 128613002 | |
| Condyloma acuminatum | contraindication | 240542006 | DOID:11168 |
| Eruption of skin | contraindication | 271807003 | DOID:0050486 |
| Peripheral vascular disease | contraindication | 400047006 | |
| Blister | contraindication | 417237009 | |
| Denuded skin | contraindication | 418242004 | |
| Inflammatory dermatosis | contraindication | 703938007 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.01 | acidic |
| pKa2 | 11.02 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Enzyme | Ki | 5.11 | CHEMBL | |||||
| Carbonic anhydrase 9 | Enzyme | Ki | 4.16 | CHEMBL | |||||
| Carbonic anhydrase 12 | Enzyme | Ki | 5.12 | CHEMBL | |||||
| Carbonic anhydrase 5A, mitochondrial | Enzyme | Ki | 5.06 | CHEMBL | |||||
| Carbonic anhydrase 5B, mitochondrial | Enzyme | Ki | 5.15 | CHEMBL | |||||
| Carbonic anhydrase 14 | Enzyme | Ki | 4.97 | CHEMBL | |||||
| Carbonic anhydrase 13 | Enzyme | Ki | 4.20 | CHEMBL | |||||
| Prostaglandin G/H synthase 1 | Enzyme | Kd | 4.06 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 5.19 | CHEMBL |
| ID | Source |
|---|---|
| YUL4LO94HK | UNII |
| 4019032 | VUID |
| N0000147303 | NUI |
| D00133 | KEGG_DRUG |
| 4019032 | VANDF |
| C0073085 | UMLSCUI |
| CHEBI:27810 | CHEBI |
| RCO | PDB_CHEM_ID |
| CHEMBL24147 | ChEMBL_ID |
| 5054 | PUBCHEM_CID |
| DB11085 | DRUGBANK_ID |
| C031389 | MESH_SUPPLEMENTAL_RECORD_UI |
| 35382 | RXNORM |
| 5052 | MMSL |
| 5418 | MMSL |
| 001950 | NDDF |
| 411296008 | SNOMEDCT_US |
| 78032005 | SNOMEDCT_US |
| YUL4LO94HK | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Anti-Itch Regular Strength | HUMAN OTC DRUG LABEL | 2 | 0363-0621 | CREAM | 2 g | TOPICAL | OTC monograph final | 11 sections |
| Well at Walgreens Anti-Itch Maximum Strength | HUMAN OTC DRUG LABEL | 2 | 0363-0674 | CREAM | 3 g | TOPICAL | OTC monograph final | 11 sections |
| Anti-Itch Medicated Maximum Strength | HUMAN OTC DRUG LABEL | 2 | 0363-2311 | CREAM | 30 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| Tinted Acne Treatment | HUMAN OTC DRUG LABEL | 2 | 0363-7783 | CREAM | 2 g | TOPICAL | OTC monograph final | 7 sections |
| REZAMID | HUMAN OTC DRUG LABEL | 2 | 11086-022 | LOTION | 2 g | TOPICAL | OTC Monograph Drug | 11 sections |
| VAGISIL Anti-Itch Medicated Creme Maximum Strength | HUMAN OTC DRUG LABEL | 2 | 11509-4402 | CREAM | 30 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| VAGISIL Anti-Itch Creme Regular Strength | HUMAN OTC DRUG LABEL | 2 | 11509-5103 | CREAM | 20 mg | TOPICAL | OTC Monograph Drug | 10 sections |
| BENZOCAINE and RESORCINOL | HUMAN OTC DRUG LABEL | 2 | 11822-2890 | OINTMENT | 20 mg | TOPICAL | OTC monograph not final | 7 sections |
| Rite Aid Original Strength Vagicaine | HUMAN OTC DRUG LABEL | 2 | 11822-2891 | CREAM | 20 mg | TOPICAL | OTC monograph not final | 7 sections |
| Vagicaine Medicated Maximum Strength | HUMAN OTC DRUG LABEL | 2 | 11822-5880 | CREAM | 30 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| Rite Aid Original Strength Vagicaine | HUMAN OTC DRUG LABEL | 2 | 11822-9974 | CREAM | 2 g | TOPICAL | OTC monograph not final | 9 sections |
| Budpak Feminine Anti-Itch | HUMAN OTC DRUG LABEL | 2 | 27293-022 | CREAM | 0.02 g | TOPICAL | OTC monograph not final | 10 sections |
| Vagicaine | HUMAN OTC DRUG LABEL | 2 | 29500-7820 | CREAM | 0.85 g | TOPICAL | OTC monograph not final | 12 sections |
| AssuredFeminine Anti-itch | HUMAN OTC DRUG LABEL | 2 | 33992-2014 | CREAM | 2 g | TOPICAL | OTC monograph not final | 10 sections |
| Well at Walgreens Anti-ItchMaximum Strength | HUMAN OTC DRUG LABEL | 2 | 47046-181 | CREAM | 3 g | TOPICAL | OTC monograph final | 11 sections |
| Stage Fight Acne Mask | HUMAN OTC DRUG LABEL | 2 | 49825-137 | PASTE | 2 g | TOPICAL | OTC Monograph Drug | 8 sections |
| Family Wellness | HUMAN OTC DRUG LABEL | 2 | 55621-016 | CREAM | 3 g | TOPICAL | OTC Monograph Drug | 9 sections |
| BENZOCAINE and RESORCINOL | HUMAN OTC DRUG LABEL | 2 | 55910-185 | CREAM | 20 mg | TOPICAL | OTC monograph not final | 7 sections |
| REXALL FEMININE MAXIMUM STRENGTH ANTI-ITCH | HUMAN OTC DRUG LABEL | 2 | 55910-415 | CREAM | 3 g | TOPICAL | OTC monograph final | 11 sections |
| Stage Fight Acne Mask | HUMAN OTC DRUG LABEL | 2 | 56152-0254 | PASTE | 2 g | TOPICAL | OTC Monograph Drug | 8 sections |
| Stage Fight Acne Mask | HUMAN OTC DRUG LABEL | 2 | 56152-0254 | PASTE | 2 g | TOPICAL | OTC Monograph Drug | 8 sections |
| Vagicaine Maximum Strength Anti-Itch Cream | HUMAN OTC DRUG LABEL | 2 | 59779-588 | CREAM | 0.84 g | TOPICAL | OTC monograph not final | 12 sections |
| BENZOCAINE and RESORCINOL | HUMAN OTC DRUG LABEL | 2 | 59779-810 | CREAM | 20 mg | TOPICAL | OTC monograph not final | 7 sections |
| CVS ACNE TREATMENT | HUMAN OTC DRUG LABEL | 2 | 59779-813 | CREAM | 20 mg | TOPICAL | OTC monograph not final | 7 sections |
| Feminine Anti-Itch Creme | HUMAN OTC DRUG LABEL | 2 | 63868-949 | CREAM | 0.85 g | TOPICAL | OTC Monograph Drug | 12 sections |
| Feminine Anti-Itch Creme | HUMAN OTC DRUG LABEL | 2 | 63868-949 | CREAM | 0.85 g | TOPICAL | OTC Monograph Drug | 12 sections |
| Resinol | HUMAN OTC DRUG LABEL | 2 | 67492-105 | OINTMENT | 2 g | TOPICAL | OTC monograph drug | 13 sections |
| BENZOCAINE and RESORCINOL | HUMAN OTC DRUG LABEL | 2 | 67868-117 | CREAM | 20 mg | TOPICAL | OTC monograph not final | 7 sections |
| Feminine Anti Itch Cream | HUMAN OTC DRUG LABEL | 2 | 69396-183 | CREAM | 3 g | TOPICAL | OTC Monograph Drug | 12 sections |
| Acne Treatment maximum strengthCVS | HUMAN OTC DRUG LABEL | 2 | 69842-046 | CREAM | 2 g | TOPICAL | OTC monograph final | 7 sections |