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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibacterials, nalidixic acid derivatives | 2325 | 123447-62-1 |
| Molecule | Description |
|---|---|
|
Synonyms:
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| Dose | Unit | Route |
|---|---|---|
| 0.60 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.173 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 13.490 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 4.446 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 3.475 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 22.070 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 25.920 | % | High | 1 |
| herg | hERG pIC50 | 4.556 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 11.508 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 17.498 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 12.380 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,GSK3B,IKBKB,ITK,JAK2,KIT,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK | 46 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CAMK2D,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,IRAK1,JAK2,MAP2K6,MAP3K14,MAPK7,MARK4,PIK3CB,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK | 25 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 5.861 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 35.727 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 15.730 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 7.998 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 23.320 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 72.946 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 77.330 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 8.460 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 638.263 | uM | High | 1 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01MA17 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE QUINOLONE ANTIBACTERIALS Fluoroquinolones |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D059003 | Topoisomerase Inhibitors |
| MeSH PA | D059005 | Topoisomerase II Inhibitors |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:55323 | antidiarrhoeal drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Lower urinary tract infectious disease | indication | 4009004 | |
| Acute exacerbation of chronic bronchitis | indication | 425748003 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.72 | acidic |
| pKa2 | 5.05 | Basic |
None
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| ID | Source |
|---|---|
| D01144 | KEGG_DRUG |
| C0527129 | UMLSCUI |
| CHEBI:32071 | CHEBI |
| CHEMBL422648 | ChEMBL_ID |
| DB11892 | DRUGBANK_ID |
| C074191 | MESH_SUPPLEMENTAL_RECORD_UI |
| 12860 | IUPHAR_LIGAND_ID |
| 7249 | INN_ID |
| J42298IESW | UNII |
| 65947 | PUBCHEM_CID |
| 015857 | NDDF |
| 703590007 | SNOMEDCT_US |
| C1610779 | UMLSCUI |
| CHEMBL345937 | ChEMBL_ID |
| 112984-60-8 | SECONDARY_CAS_RN |
| 124225 | PUBCHEM_CID |
| 8346 | INN_ID |
| C074190 | MESH_SUPPLEMENTAL_RECORD_UI |
| C38638H76Y | UNII |
| CHEBI:35044 | CHEBI |
None