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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, 6-aminopenicillanic acid derivatives | 273 | 17243-38-8 |
| Dose | Unit | Route |
|---|---|---|
| 1.50 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 60 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.722 | Moderate | 0.74 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.655 | Moderate | 0.74 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.135 | 10^-6 cm/s | Moderate | 0.74 |
| dh-clint | Dog hepatocyte intrinsic clearance | 3.890 | uL/min/10^6 cells | Moderate | 0.74 |
| dppb | Dog plasma protein binding (% unbound) | 35.200 | % | Moderate | 0.74 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 20.450 | % | Moderate | 0.74 |
| herg | hERG pIC50 | 4.357 | pIC50 | Moderate | 0.74 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.858 | uL/min/10^6 cells | Moderate | 0.74 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.119 | uL/min/mg protein | Moderate | 0.74 |
| hppb | Human plasma protein binding (% unbound) | 25.970 | % | Moderate | 0.74 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 54 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,MAP2K6,TEK | 5 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.514 | Moderate | 0.74 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.199 | Moderate | 0.74 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 4.656 | Moderate | 0.74 | |
| mppb | Mouse plasma protein binding (% unbound) | 30.100 | Moderate | 0.74 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.321 | Moderate | 0.74 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 17.220 | % | Moderate | 0.74 |
| rat-kpuu-brain | Rat brain Kpuu | 0.009 | % | Moderate | 0.74 |
| rh-clint | Rat hepatocyte intrinsic clearance | 2.612 | uL/min/10^6 cells | Moderate | 0.74 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 82.290 | % | Moderate | 0.74 |
| rppb | Rat plasma protein binding (% unbound) | 17.350 | % | Moderate | 0.74 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 952.796 | uM | Moderate | 0.74 |
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| Source | Code | Description |
|---|---|---|
| ATC | J01CE04 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE BETA-LACTAM ANTIBACTERIALS, PENICILLINS Beta-lactamase sensitive penicillins |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Respiratory tract infection | indication | 275498002 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.79 | acidic |
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| ID | Source |
|---|---|
| D07235 | KEGG_DRUG |
| 35334-12-4 | SECONDARY_CAS_RN |
| 18609 | RXNORM |
| C0052772 | UMLSCUI |
| CHEBI:51758 | CHEBI |
| CHEMBL2105907 | ChEMBL_ID |
| DB08795 | DRUGBANK_ID |
| C100243 | MESH_SUPPLEMENTAL_RECORD_UI |
| 15574941 | PUBCHEM_CID |
| 12291 | IUPHAR_LIGAND_ID |
| 2458 | INN_ID |
| R8XDP7L3SL | UNII |
| 006819 | NDDF |
| 006820 | NDDF |
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