Explore drug information in your own words.
Type a question in the search bar above to get started. Each question is answered independently.
Select a question to fill the search bar, then submit it or edit it first.
AI can make mistakes. Verify answers against the original sources before relying on them.
| Stem definition | Drug id | CAS RN |
|---|---|---|
| analgesics, pethidine derivatives and other synthetic small molecule miu-opioid receptor agonists | 3441 | 562-26-5 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 20 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 5.70 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 22 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 3.22 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.983 | Moderate | 0.67 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.785 | Moderate | 0.67 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 34.834 | 10^-6 cm/s | Moderate | 0.67 |
| dh-clint | Dog hepatocyte intrinsic clearance | 28.379 | uL/min/10^6 cells | Moderate | 0.67 |
| dppb | Dog plasma protein binding (% unbound) | 14.720 | % | Moderate | 0.67 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 26.550 | % | Moderate | 0.67 |
| herg | hERG pIC50 | 5.397 | pIC50 | Moderate | 0.67 |
| hh-clint | Human hepatocyte intrinsic clearance | 34.754 | uL/min/10^6 cells | Moderate | 0.67 |
| hlm-clint | Human liver microsomal intrinsic clearance | 158.489 | uL/min/mg protein | Moderate | 0.67 |
| hppb | Human plasma protein binding (% unbound) | 14.400 | % | Moderate | 0.67 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPKAPK2,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,TTK | 46 | |||
| kinase-selectivity-class | AKT3,AXL,EIF2AK3,EPHB4,GRK2,PDK4,SIK2 | 7 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.014 | Moderate | 0.67 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 148.252 | Moderate | 0.67 | |
| mppb | Mouse plasma protein binding (% unbound) | 14.600 | Moderate | 0.67 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 4.207 | Moderate | 0.67 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 27 | % | Moderate | 0.67 |
| rh-clint | Rat hepatocyte intrinsic clearance | 173.380 | uL/min/10^6 cells | Moderate | 0.67 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 51.150 | % | Moderate | 0.67 |
| rppb | Rat plasma protein binding (% unbound) | 14.660 | % | Moderate | 0.67 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 542.001 | uM | Moderate | 0.67 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N01AH04 | NERVOUS SYSTEM ANESTHETICS ANESTHETICS, GENERAL Opioid anesthetics |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000701 | Analgesics, Opioid |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D009294 | Narcotics |
| MeSH PA | D018689 | Sensory System Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.76 | Basic |
None
None
None
| ID | Source |
|---|---|
| N0000167337 | NUI |
| D02611 | KEGG_DRUG |
| C0031432 | UMLSCUI |
| CHEBI:135550 | CHEBI |
| CHEMBL2105385 | ChEMBL_ID |
| DB13605 | DRUGBANK_ID |
| D010638 | MESH_DESCRIPTOR_UI |
| 11226 | PUBCHEM_CID |
| 1062 | INN_ID |
| 3627-49-4 | SECONDARY_CAS_RN |
| G9BH09J4JW | UNII |
| 106508 | RXNORM |
| 004020 | NDDF |
| 004021 | NDDF |
| 350306009 | SNOMEDCT_US |
| 420076001 | SNOMEDCT_US |
None