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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1172 | 34161-24-5 |
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| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.248 | Moderate | 0.67 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.475 | Moderate | 0.67 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 46.452 | 10^-6 cm/s | Moderate | 0.67 |
| dh-clint | Dog hepatocyte intrinsic clearance | 9.183 | uL/min/10^6 cells | Moderate | 0.67 |
| dppb | Dog plasma protein binding (% unbound) | 2.120 | % | Moderate | 0.67 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 5.670 | % | Moderate | 0.67 |
| herg | hERG pIC50 | 5.659 | pIC50 | Moderate | 0.67 |
| hh-clint | Human hepatocyte intrinsic clearance | 8.375 | uL/min/10^6 cells | Moderate | 0.67 |
| hlm-clint | Human liver microsomal intrinsic clearance | 33.574 | uL/min/mg protein | Moderate | 0.67 |
| hppb | Human plasma protein binding (% unbound) | 1.570 | % | Moderate | 0.67 |
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP3K7,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 35 | |||
| kinase-selectivity-class | AXL,BRAF | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.316 | Moderate | 0.67 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 39.994 | Moderate | 0.67 | |
| mppb | Mouse plasma protein binding (% unbound) | 3.420 | Moderate | 0.67 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.459 | Moderate | 0.67 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 5.280 | % | Moderate | 0.67 |
| rh-clint | Rat hepatocyte intrinsic clearance | 55.208 | uL/min/10^6 cells | Moderate | 0.67 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 32.470 | % | Moderate | 0.67 |
| rppb | Rat plasma protein binding (% unbound) | 2.330 | % | Moderate | 0.67 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 65.766 | uM | Moderate | 0.67 |
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| Source | Code | Description |
|---|---|---|
| ATC | N06BX05 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Other psychostimulants and nootropics |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.31 | Basic |
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| ID | Source |
|---|---|
| D07345 | KEGG_DRUG |
| C0060394 | UMLSCUI |
| CHEBI:94598 | CHEBI |
| CHEMBL254857 | ChEMBL_ID |
| DB13790 | DRUGBANK_ID |
| C038628 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3351 | PUBCHEM_CID |
| 2576 | INN_ID |
| 34161-23-4 | SECONDARY_CAS_RN |
| TG44VME01D | UNII |
| CHEMBL1377408 | ChEMBL_ID |
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