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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1418 | 6961-46-2 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.11 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.99 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.35 hours | Lombardo F, Berellini G, Obach RS |
| BA (Bioavailability) | 30 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.479 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.551 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 97.051 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 63.973 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 51.210 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 70.480 | % | High | 1 |
| herg | hERG pIC50 | 3.508 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 54.450 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 57.016 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 46.270 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK7,MAPK9,NTRK2,PAK4,PDK1,PDK2,PDK4,PIK3CB,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 34 | |||
| kinase-selectivity-class | AXL,GRK2 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.172 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 163.305 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 54.480 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.274 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 52.190 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 68.707 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 97.460 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 54.140 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1061.696 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | M02AX05 | MUSCULO-SKELETAL SYSTEM TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN Other topical products for joint and muscular pain |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.86 | acidic |
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| ID | Source |
|---|---|
| D08063 | KEGG_DRUG |
| C0054086 | UMLSCUI |
| CHEMBL102358 | ChEMBL_ID |
| DB13297 | DRUGBANK_ID |
| 1550874 | PUBCHEM_CID |
| C004560 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3547 | INN_ID |
| 6C816LUB1O | UNII |
| 19729 | RXNORM |
| 005257 | NDDF |
| 16311000122105 | SNOMEDCT_US |
| CHEBI:134842 | CHEBI |
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