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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibacterials, nalidixic acid derivatives | 2184 | 51940-44-4 |
| Dose | Unit | Route |
|---|---|---|
| 0.80 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 93 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.88 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 2.84 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.70 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 3.69 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.405 | High | 0.81 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.512 | High | 0.81 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.766 | 10^-6 cm/s | High | 0.81 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.493 | uL/min/10^6 cells | High | 0.81 |
| dppb | Dog plasma protein binding (% unbound) | 88.590 | % | High | 0.81 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 90.700 | % | High | 0.81 |
| herg | hERG pIC50 | 4.597 | pIC50 | High | 0.81 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.119 | uL/min/10^6 cells | High | 0.81 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.126 | uL/min/mg protein | High | 0.81 |
| hppb | Human plasma protein binding (% unbound) | 83.370 | % | High | 0.81 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,PDK1,PDK2,PRKDC,TEK | 16 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,DYRK1B,EIF2AK3,GRK2,MAP2K6,MAPK7,PRKDC,STK33,TEK,TTK | 13 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 5.585 | High | 0.81 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 3.141 | High | 0.81 | |
| mppb | Mouse plasma protein binding (% unbound) | 90.600 | High | 0.81 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 5.483 | High | 0.81 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 92.480 | % | High | 0.81 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.167 | uL/min/10^6 cells | High | 0.81 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 92.070 | % | High | 0.81 |
| rppb | Rat plasma protein binding (% unbound) | 77.740 | % | High | 0.81 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 855.067 | uM | High | 0.81 |
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| Source | Code | Description |
|---|---|---|
| ATC | J01MB04 | 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 |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| 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 | 8.04 | Basic |
| pKa3 | 6.43 | Basic |
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| ID | Source |
|---|---|
| N0000167334 | NUI |
| D08379 | KEGG_DRUG |
| C0031953 | UMLSCUI |
| CHEBI:75250 | CHEBI |
| CHEMBL30116 | ChEMBL_ID |
| DB13823 | DRUGBANK_ID |
| D010876 | MESH_DESCRIPTOR_UI |
| 4831 | PUBCHEM_CID |
| 12774 | IUPHAR_LIGAND_ID |
| 3694 | INN_ID |
| LT12J5HVR8 | UNII |
| 8337 | RXNORM |
| 004201 | NDDF |
| 702807004 | SNOMEDCT_US |
| 96079005 | SNOMEDCT_US |
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