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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 486 | 77-22-5 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.361 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.437 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 39.628 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 63.387 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 30.290 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 23.820 | % | High | 1 |
| herg | hERG pIC50 | 5.295 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 42.658 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 129.122 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 24.110 | % | High | 1 |
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP3K7,MAPK7,MAPKAPK2,NTRK2,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1 | 24 | |||
| kinase-selectivity-class | AKT2,AKT3,AXL,EIF2AK3,PDK4 | 5 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.435 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 293.089 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 33.180 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.705 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 62.560 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 238.232 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 74.340 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 32.270 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 841.395 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
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| Species | Use | Relation |
|---|---|---|
| Dogs | Cough | Indication |
| Product | Applicant | Ingredients |
|---|---|---|
| Carafen Cough Syrup, Carafen Cough Tablets | Zoetis Inc. | 2 |
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.51 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 7.81 | CHEMBL | |||||
| Lysosomal Pro-X carboxypeptidase | Enzyme | Ki | 7.59 | CHEMBL | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 7.50 | CHEMBL | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 8.92 | CHEMBL | |||||
| Sodium-dependent dopamine transporter | Transporter | Ki | 5.29 | CHEMBL |
| ID | Source |
|---|---|
| 4019653 | VUID |
| N0000179066 | NUI |
| 125-85-9 | SECONDARY_CAS_RN |
| 133053 | RXNORM |
| C0054635 | UMLSCUI |
| CHEBI:135204 | CHEBI |
| CHEMBL61946 | ChEMBL_ID |
| CHEMBL1598472 | ChEMBL_ID |
| DB11504 | DRUGBANK_ID |
| C004519 | MESH_SUPPLEMENTAL_RECORD_UI |
| 6472 | PUBCHEM_CID |
| 1268 | INN_ID |
| 97J7NP0XJY | UNII |
| 4348 | MMSL |
| d03571 | MMSL |
| 412472003 | SNOMEDCT_US |
| 412473008 | SNOMEDCT_US |
| 96253007 | SNOMEDCT_US |
| 96315000 | SNOMEDCT_US |
| 125-86-0 | SECONDARY_CAS_RN |
| 4018017 | VANDF |
| 4019653 | VANDF |
| C000595810 | MESH_SUPPLEMENTAL_RECORD_UI |
| 001658 | NDDF |
| 001659 | NDDF |
| 001660 | NDDF |
| 97J7NP0XJY | INXIGHT DRUGS |
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