Explore drug information in your own words.
Type a question in the search bar above to get started. Each question is answered independently.
AI can make mistakes. Verify answers against the original sources before relying on them.
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2263 | 511-45-5 |
| Dose | Unit | Route |
|---|---|---|
| 6 | mg | O |
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.03 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 77 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.813 | Moderate | 0.68 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.180 | Moderate | 0.68 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 30.409 | 10^-6 cm/s | Moderate | 0.68 |
| dh-clint | Dog hepatocyte intrinsic clearance | 22.387 | uL/min/10^6 cells | Moderate | 0.68 |
| dppb | Dog plasma protein binding (% unbound) | 26.190 | % | Moderate | 0.68 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 43.930 | % | Moderate | 0.68 |
| herg | hERG pIC50 | 5.427 | pIC50 | Moderate | 0.68 |
| hh-clint | Human hepatocyte intrinsic clearance | 9.795 | uL/min/10^6 cells | Moderate | 0.68 |
| hlm-clint | Human liver microsomal intrinsic clearance | 21.429 | uL/min/mg protein | Moderate | 0.68 |
| hppb | Human plasma protein binding (% unbound) | 30.530 | % | Moderate | 0.68 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPKAPK2,MET,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,TTK | 42 | |||
| kinase-selectivity-class | AKT3,AXL,BRAF,EPHB4,ERBB2,FLT3,GRK2,PDK4,SIK2,SIK3,STK33,TEK,TGFBR1 | 13 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.527 | Moderate | 0.68 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 156.675 | Moderate | 0.68 | |
| mppb | Mouse plasma protein binding (% unbound) | 44.780 | Moderate | 0.68 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.054 | Moderate | 0.68 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 54.990 | % | Moderate | 0.68 |
| rh-clint | Rat hepatocyte intrinsic clearance | 276.058 | uL/min/10^6 cells | Moderate | 0.68 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 67.780 | % | Moderate | 0.68 |
| rppb | Rat plasma protein binding (% unbound) | 38.960 | % | Moderate | 0.68 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 841.395 | uM | Moderate | 0.68 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | M03BX03 | MUSCULO-SKELETAL SYSTEM MUSCLE RELAXANTS MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS Other centrally acting agents |
| ATC | M03BX53 | MUSCULO-SKELETAL SYSTEM MUSCLE RELAXANTS MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS Other centrally acting agents |
| CHEBI has role | CHEBI:48407 | antiparkinson drug |
| CHEBI has role | CHEBI:51371 | muscle relaxant |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.8 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 8.80 | PDSP | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 8.15 | PDSP | |||||
| Muscarinic acetylcholine receptor M3 | GPCR | Ki | 8.19 | PDSP | |||||
| Muscarinic acetylcholine receptor M4 | GPCR | Ki | 8.59 | PDSP | |||||
| Muscarinic acetylcholine receptor M5 | GPCR | Ki | 7.80 | PDSP |
| ID | Source |
|---|---|
| D08418 | KEGG_DRUG |
| C0071968 | UMLSCUI |
| CHEBI:75247 | CHEBI |
| CHEMBL404215 | ChEMBL_ID |
| DB13642 | DRUGBANK_ID |
| C009185 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4904 | PUBCHEM_CID |
| 1320 | INN_ID |
| 9E75Q6SUUB | UNII |
| 34479 | RXNORM |
| 006583 | NDDF |
| 39003011000001103 | SNOMEDCT_US |
| CHEMBL1528011 | ChEMBL_ID |
None