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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 846 | 51-49-0 |
| Dose | Unit | Route |
|---|---|---|
| 4 | mg | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.178 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 9.290 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 7.586 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.629 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 0.380 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.420 | % | High | 1 |
| herg | hERG pIC50 | 5.102 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.951 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 6.012 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 0.570 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K1,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 74 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AURKA,AURKC,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK16,CDK2,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT4,GRK2,GSK3A,GSK3B,JAK2,MAP2K6,MAP3K2,MAP3K21,MAP4K1,MAPK1,MAPK7,PDK1,PDK4,PIK3CB,PIK3CD,PIK3CG,PRKDC,SIK2,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 43 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 26.002 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 8.872 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.380 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 8.531 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.260 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 16.331 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 10.240 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.290 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1.585 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 14, 1967 | FDA | ABBVIE |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C10AX01 | CARDIOVASCULAR SYSTEM LIPID MODIFYING AGENTS LIPID MODIFYING AGENTS, PLAIN Other lipid modifying agents |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hyperlipidemia | indication | 55822004 | DOID:1168 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.08 | acidic |
| pKa2 | 6.63 | acidic |
| pKa3 | 8.6 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor | Nuclear hormone receptor | AGONIST | CHEMBL | CHEMBL | |||||
| Thyroid hormone receptor beta | Transcription factor | IC50 | 7.46 | CHEMBL | |||||
| Glutamate NMDA receptor | Ion channel | IC50 | 6.48 | CHEMBL |
| ID | Source |
|---|---|
| 4022400 | VUID |
| N0000020406 | NUI |
| D03750 | KEGG_DRUG |
| 227544 | RXNORM |
| 4018501 | VANDF |
| 4022400 | VANDF |
| C0011824 | UMLSCUI |
| CHEBI:30659 | CHEBI |
| CHEMBL559 | ChEMBL_ID |
| CHEMBL3545058 | ChEMBL_ID |
| D003918 | MESH_DESCRIPTOR_UI |
| DB00509 | DRUGBANK_ID |
| 6951 | IUPHAR_LIGAND_ID |
| 7054-08-2 | SECONDARY_CAS_RN |
| 4W9K63FION | UNII |
| 8730 | PUBCHEM_CID |
| 308 | MMSL |
| 4569 | MMSL |
| d00747 | MMSL |
| 002055 | NDDF |
| 004779 | NDDF |
| 59170000 | SNOMEDCT_US |
| 61899008 | SNOMEDCT_US |
| 847003 | SNOMEDCT_US |
None