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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4138 | 548-62-9 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GSK3B,INSR,ITK,JAK1,JAK2,JAK3,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K21,MAP3K7,MAP3K8,MAP4K1,MAP4K3,MAP4K5,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKCZ,PRKDC,SGK1,SIK2,SIK3,SRC,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 81 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK4,DDR1,EIF2AK3,EPHB4,ERBB2,GRK2,MAP2K6,MAP3K7,MAPK12,MAPK7,MARK4,PDK4,SIK2,STK33,SYK,TEK,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 |
|---|---|---|
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000891 | Anti-Infective Agents, Local |
| CHEBI has role | CHEBI:33282 | bactericides |
| CHEBI has role | CHEBI:35443 | anthelmintics |
| CHEBI has role | CHEBI:35718 | antifungal agents |
| CHEBI has role | CHEBI:48218 | antiseptics |
| CHEBI has role | CHEBI:77178 | biological stain |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Candidal vulvovaginitis | indication | 72605008 | DOID:2272 |
| Candidiasis of skin | off-label use | 49883006 | |
| Vaginal irritation | contraindication | 161816004 | |
| Aphthous ulcer of mouth | contraindication | 426965005 | DOID:9663 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.58 | Basic |
| pKa2 | 6.08 | Basic |
| pKa3 | 5.61 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | GPCR | Ki | 6.06 | DRUG MATRIX | |||||
| D(1A) dopamine receptor | GPCR | Ki | 5.81 | DRUG MATRIX | |||||
| D(2) dopamine receptor | GPCR | Ki | 5.98 | DRUG MATRIX | |||||
| Adenosine receptor A2a | GPCR | Ki | 5.72 | DRUG MATRIX | |||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 6.70 | DRUG MATRIX | |||||
| Cytochrome P450 3A4 | Enzyme | IC50 | 5.44 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 6.12 | DRUG MATRIX | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.24 | DRUG MATRIX | |||||
| D(3) dopamine receptor | GPCR | Ki | 6.55 | DRUG MATRIX | |||||
| Histamine H2 receptor | GPCR | Ki | 5.95 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 6.58 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 6.29 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M3 | GPCR | Ki | 6.04 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M4 | GPCR | Ki | 6.85 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M5 | GPCR | Ki | 6.42 | DRUG MATRIX | |||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 6.56 | DRUG MATRIX | |||||
| Sodium-dependent dopamine transporter | Transporter | Ki | 5.49 | DRUG MATRIX | |||||
| Cytochrome P450 2D6 | Enzyme | IC50 | 6.08 | DRUG MATRIX | |||||
| Adenosine receptor A3 | GPCR | Ki | 5.63 | DRUG MATRIX | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 6.01 | DRUG MATRIX | |||||
| Kappa-type opioid receptor | GPCR | Ki | 6.21 | DRUG MATRIX | |||||
| Acetylcholinesterase | Enzyme | IC50 | 5.23 | DRUG MATRIX | |||||
| Epidermal growth factor receptor | Kinase | IC50 | 6.33 | DRUG MATRIX | |||||
| Tyrosine-protein kinase Fyn | Kinase | IC50 | 5.67 | DRUG MATRIX | |||||
| Histone deacetylase 6 | Enzyme | IC50 | 6.02 | CHEMBL | |||||
| Substance-K receptor | GPCR | Ki | 6.25 | DRUG MATRIX | |||||
| Androgen receptor | Transcription factor | Ki | 5.43 | DRUG MATRIX | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 5.70 | DRUG MATRIX |
| ID | Source |
|---|---|
| 4018858 | VUID |
| N0000147160 | NUI |
| 4018858 | VANDF |
| C0017440 | UMLSCUI |
| CHEBI:41688 | CHEBI |
| CHEMBL64894 | ChEMBL_ID |
| D005840 | MESH_DESCRIPTOR_UI |
| 113 | INN_ID |
| J4Z741D6O5 | UNII |
| 11057 | PUBCHEM_CID |
| 4778 | RXNORM |
| 4780 | MMSL |
| 4822 | MMSL |
| 002617 | NDDF |
| 002912 | NDDF |
| 387239001 | SNOMEDCT_US |
| 42638008 | SNOMEDCT_US |
| CVI | PDB_CHEM_ID |
| DB00406 | DRUGBANK_ID |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Humco Gentian Violet 1% | HUMAN OTC DRUG LABEL | 1 | 0395-1003 | LIQUID | 10 mg | TOPICAL | OTC Monograph Drug | 12 sections |
| Humco Gentian Violet 2% | HUMAN OTC DRUG LABEL | 1 | 0395-1005 | LIQUID | 20 mg | TOPICAL | OTC Monograph Drug | 12 sections |
| Gentian Violet 1% | HUMAN OTC DRUG LABEL | 1 | 0395-9114 | LIQUID | 10 mg | TOPICAL | OTC monograph not final | 12 sections |
| Gentian Violet | HUMAN OTC DRUG LABEL | 1 | 10095-101 | SOLUTION | 1 g | TOPICAL | OTC Monograph Drug | 14 sections |
| DE LA CRUZ GENTIAN VIOLET | HUMAN OTC DRUG LABEL | 1 | 24286-1531 | TINCTURE | 1 g | TOPICAL | OTC Monograph Drug | 15 sections |
| GNP Gentian Violet 1% | HUMAN OTC DRUG LABEL | 1 | 24385-003 | LIQUID | 10 mg | TOPICAL | OTC Monograph Drug | 12 sections |
| Gentian Violet 2% | HUMAN OTC DRUG LABEL | 1 | 54633-014 | SOLUTION | 2 g | TOPICAL | OTC Monograph Drug | 12 sections |
| Perineze Triple Dye | HUMAN OTC DRUG LABEL | 3 | 55739-1022 | SOLUTION | 2.29 mg | TOPICAL | OTC monograph not final | 10 sections |
| El Valle Gentian Violet | HUMAN OTC DRUG LABEL | 1 | 55758-373 | LIQUID | 10 mg | TOPICAL | OTC Monograph Drug | 13 sections |
| Gentian Violet | HUMAN OTC DRUG LABEL | 1 | 69469-010 | SOLUTION | 10 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| Sanar Naturals Gentian Violet | HUMAN OTC DRUG LABEL | 1 | 73386-152 | TINCTURE | 0.10 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| Gentian VioletAnti-Infective | HUMAN OTC DRUG LABEL | 1 | 73635-1219 | LIQUID | 10 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| Gentian VioletAnti-Infective | HUMAN OTC DRUG LABEL | 1 | 73635-1219 | LIQUID | 10 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| Gentian Violet 1% | HUMAN OTC DRUG LABEL | 1 | 82645-917 | LIQUID | 10 mg | TOPICAL | OTC Monograph Drug | 12 sections |