Stem definition | Drug id | CAS RN |
---|---|---|
antibacterials, nalidixic acid derivatives | 2071 | 70458-92-3 |
Dose | Unit | Route |
---|---|---|
0.80 | g | O |
0.80 | g | P |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 11.40 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 12 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 34.28 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 90 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 1.50 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 2 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.75 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 11 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1985 | YEAR INTRODUCED |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | J01MA03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE QUINOLONE ANTIBACTERIALS Fluoroquinolones |
CHEBI has role | CHEBI:35441 | antiinfective agents |
CHEBI has role | CHEBI:36047 | antibacterial drugs |
CHEBI has role | CHEBI:59517 | DNA synthesis inhibitors |
MeSH PA | D000900 | Anti-Bacterial Agents |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D000970 | Antineoplastic Agents |
MeSH PA | D065609 | Cytochrome P-450 CYP1A2 Inhibitors |
MeSH PA | D065607 | Cytochrome P-450 Enzyme Inhibitors |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D065606 | Metabolic Side Effects of Drugs and Substances |
MeSH PA | D059005 | Topoisomerase II Inhibitors |
MeSH PA | D059003 | Topoisomerase Inhibitors |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 5.98 | acidic |
pKa2 | 8.23 | Basic |
pKa3 | 1.06 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1A2 | Enzyme | Ki | 4.10 | WOMBAT-PK | |||||
DNA gyrase subunit A | Enzyme | IC50 | 6.79 | WOMBAT-PK | |||||
DNA gyrase subunit B | Enzyme | IC50 | 6.79 | WOMBAT-PK |
ID | Source |
---|---|
N0000166915 | NUI |
D02306 | KEGG_DRUG |
C0030771 | UMLSCUI |
CHEBI:50199 | CHEBI |
CHEMBL267648 | ChEMBL_ID |
DB00487 | DRUGBANK_ID |
D015366 | MESH_DESCRIPTOR_UI |
51081 | PUBCHEM_CID |
12411 | IUPHAR_LIGAND_ID |
5006 | INN_ID |
2H52Z9F2Q5 | UNII |
7960 | RXNORM |
005283 | NDDF |
443149005 | SNOMEDCT_US |
96089009 | SNOMEDCT_US |
None