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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibacterials, nalidixic acid derivatives | 2209 | 19562-30-2 |
| Dose | Unit | Route |
|---|---|---|
| 2 | g | O |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.353 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.059 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 161.808 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 17.539 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 21.950 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 28.050 | % | High | 1 |
| herg | hERG pIC50 | 4.063 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.173 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 7.674 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 7.930 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,MAP3K21,MAPK7,NTRK2,PDK1,PDK2,PRKDC,SIK2,STK33,TEK | 20 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,BRAF,CDK9,DYRK1B,EIF2AK3,GRK2,MAP2K6,MAPK7,PRKDC,SIK2,STK33,TEK,TGFBR1,TTK | 16 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.581 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 34.995 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 14.720 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.317 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 8.750 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 10.162 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 92.370 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 3.650 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 920.450 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | J01MB03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE QUINOLONE ANTIBACTERIALS Other quinolones |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000892 | Anti-Infective Agents, Urinary |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:59517 | DNA synthesis inhibitor |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.55 | acidic |
| pKa2 | 6.43 | Basic |
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| ID | Source |
|---|---|
| D01431 | KEGG_DRUG |
| C0031987 | UMLSCUI |
| CHEBI:32019 | CHEBI |
| CHEMBL311350 | ChEMBL_ID |
| DB13744 | DRUGBANK_ID |
| D010893 | MESH_DESCRIPTOR_UI |
| 4855 | PUBCHEM_CID |
| 12475 | IUPHAR_LIGAND_ID |
| 3198 | INN_ID |
| 3I12WH4EWF | UNII |
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