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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2854 | 58-86-6 |
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.23 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 2.38 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.20 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK2,PDK2,PDK4,PIK3CB,PIK3CD,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK | 31 | |||
| kinase-selectivity-class | ACVRL1,AXL,BMX,CDK1,CDK2,CDK4,CDK6,CDK7,CDK9,CHUK,DYRK1A,INSR,IRAK1,IRAK3,IRAK4,MAP2K6,MAP3K14,PIK3CD,TGFBR1,ZAP70 | 20 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| March 26, 1987 | FDA | LYNE |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:76924 | plant metabolite |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.57 | acidic |
| pKa2 | 13.88 | acidic |
None
None
None
| ID | Source |
|---|---|
| 4018118 | VUID |
| N0000146456 | NUI |
| D06346 | KEGG_DRUG |
| 4018118 | VANDF |
| C0043375 | UMLSCUI |
| CHEBI:18222 | CHEBI |
| HSY | PDB_CHEM_ID |
| CHEMBL1236821 | ChEMBL_ID |
| DB09419 | DRUGBANK_ID |
| D014994 | MESH_DESCRIPTOR_UI |
| 135191 | PUBCHEM_CID |
| A1TA934AKO | UNII |
| 11378 | RXNORM |
| 4961 | MMSL |
| 5698 | MMSL |
| d03995 | MMSL |
| 001145 | NDDF |
| 109193004 | SNOMEDCT_US |
| 19160003 | SNOMEDCT_US |
| A1TA934AKO | INXIGHT DRUGS |
None