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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 226 | 1143-38-0 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | AAK1,ACVR1B,ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BMX,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK14,CDK16,CDK19,CDK2,CDK3,CDK4,CDK5,CDK7,CDK9,CLK4,CSF1R,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT3,FLT4,GRK2,GRK3,GSK3A,GSK3B,HIPK2,IKBKB,INSR,IRAK1,ITK,JAK1,JAK2,KDR,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP3K8,MAP4K1,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PLK1,PRKAA1,PRKCD,PRKCZ,PRKDC,PTK2,SGK1,SIK2,SIK3,STK10,STK17A,STK33,SYK,TEK,TGFBR1,TNIK,TTK,UHMK1,ULK1,ULK2,ZAP70 | 112 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AURKC,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK16,CDK2,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FGFR1,GRK2,GSK3A,GSK3B,IRAK1,JAK1,JAK2,MAP2K3,MAP2K6,MAP3K10,MAP3K14,MAP3K21,MAP4K1,MAPK1,MAPK12,MAPK7,MAPK8,MARK4,MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC,SIK2,SIK3,STK10,STK33,SYK,TEK,TGFBR1,TTK,TYRO3,ULK1,ULK2 | 55 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | D05AC01 | DERMATOLOGICALS ANTIPSORIATICS ANTIPSORIATICS FOR TOPICAL USE Antracen derivatives |
| ATC | D05AC51 | DERMATOLOGICALS ANTIPSORIATICS ANTIPSORIATICS FOR TOPICAL USE Antracen derivatives |
| MeSH PA | D003879 | Dermatologic Agents |
| CHEBI has role | CHEBI:50748 | antipsoriatic |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Psoriasis | off-label use | 9014002 | DOID:8893 |
| Alopecia areata | off-label use | 68225006 | DOID:986 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.42 | acidic |
| pKa2 | 11.19 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Arachidonate 12-lipoxygenase, 12R-type | Enzyme | WOMBAT-PK | |||||||
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | Enzyme | IC50 | 7 | CHEMBL | |||||
| Serine protease hepsin | Enzyme | IC50 | 6.64 | CHEMBL | |||||
| 5-lipoxygenase | Enzyme | IC50 | 4.43 | CHEMBL | |||||
| Trypsin | Enzyme | IC50 | 5.90 | CHEMBL |
| ID | Source |
|---|---|
| 4018598 | VUID |
| N0000146914 | NUI |
| D00233 | KEGG_DRUG |
| 873 | RXNORM |
| C0003166 | UMLSCUI |
| CHEBI:37510 | CHEBI |
| CHEMBL46469 | ChEMBL_ID |
| DB11157 | DRUGBANK_ID |
| 2202 | PUBCHEM_CID |
| 24 | MMSL |
| 4206 | MMSL |
| D000875 | MESH_DESCRIPTOR_UI |
| 83 | INN_ID |
| 4018598 | VANDF |
| U8CJK0JH5M | UNII |
| 001984 | NDDF |
| 387293003 | SNOMEDCT_US |
| 53800008 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| ZITHRANOL-RR | HUMAN PRESCRIPTION DRUG LABEL | 1 | 42783-101 | cream | 0.01 g | TOPICAL | unapproved drug other | 12 sections |
| Zithranol | HUMAN PRESCRIPTION DRUG LABEL | 1 | 42783-111 | SHAMPOO | 1 g | TOPICAL | unapproved drug other | 12 sections |