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| Stem definition | Drug id | CAS RN |
|---|---|---|
| opioid receptor antagonists/agonists, morphinan derivates | 3207 | 76-58-4 |
| Dose | Unit | Route |
|---|---|---|
| 50 | mg | O |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.436 | High | 0.85 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.330 | High | 0.85 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 26.792 | 10^-6 cm/s | High | 0.85 |
| dh-clint | Dog hepatocyte intrinsic clearance | 34.514 | uL/min/10^6 cells | High | 0.85 |
| dppb | Dog plasma protein binding (% unbound) | 65.370 | % | High | 0.85 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 75.970 | % | High | 0.85 |
| herg | hERG pIC50 | 4.594 | pIC50 | High | 0.85 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.041 | uL/min/10^6 cells | High | 0.85 |
| hlm-clint | Human liver microsomal intrinsic clearance | 8.433 | uL/min/mg protein | High | 0.85 |
| hppb | Human plasma protein binding (% unbound) | 64.640 | % | High | 0.85 |
| kinase-safety-class | ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MET,NTRK2,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,ZAP70 | 40 | |||
| kinase-selectivity-class | EIF2AK3 | 1 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.400 | High | 0.85 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 46.345 | High | 0.85 | |
| mppb | Mouse plasma protein binding (% unbound) | 54.480 | High | 0.85 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 4.375 | High | 0.85 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 78.600 | % | High | 0.85 |
| rh-clint | Rat hepatocyte intrinsic clearance | 121.060 | uL/min/10^6 cells | High | 0.85 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 83.590 | % | High | 0.85 |
| rppb | Rat plasma protein binding (% unbound) | 53.450 | % | High | 0.85 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 970.510 | uM | High | 0.85 |
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| Source | Code | Description |
|---|---|---|
| ATC | R05DA01 | RESPIRATORY SYSTEM COUGH AND COLD PREPARATIONS COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS Opium alkaloids and derivatives |
| ATC | S01XA06 | SENSORY ORGANS OPHTHALMOLOGICALS OTHER OPHTHALMOLOGICALS Other ophthalmologicals |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000701 | Analgesics, Opioid |
| MeSH PA | D000996 | Antitussive Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D009294 | Narcotics |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D019141 | Respiratory System Agents |
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.38 | Basic |
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| ID | Source |
|---|---|
| N0000167302 | NUI |
| D07929 | KEGG_DRUG |
| C0015109 | UMLSCUI |
| CHEBI:4902 | CHEBI |
| CHEMBL1712170 | ChEMBL_ID |
| DB01466 | DRUGBANK_ID |
| D005036 | MESH_DESCRIPTOR_UI |
| 5359271 | PUBCHEM_CID |
| RWO67D87EU | UNII |
| 4166 | RXNORM |
| 003787 | NDDF |
| 74905005 | SNOMEDCT_US |
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