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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibacterials, nalidixic acid derivatives | 2777 | 147059-72-1 |
| Dose | Unit | Route |
|---|---|---|
| 0.20 | g | O |
| 0.20 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Hosey CM, Chan R, Benet LZ |
| BA (Bioavailability) | 91 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.30 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.40 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.24 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 11 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 26 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | GRK2,PDK1,PDK2,PDK4 | 4 | |||
| kinase-selectivity-class | AXL,CDK9,DYRK1B,EIF2AK3,GRK2,MAP2K6,MAPK7,PRKDC | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 18, 1997 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01MA13 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE QUINOLONE ANTIBACTERIALS Fluoroquinolones |
| MeSH PA | D000890 | Anti-Infective 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:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:50908 | hepatotoxic agent |
| CHEBI has role | CHEBI:53559 | topoisomerase IV inhibitor |
| CHEBI has role | CHEBI:59517 | DNA synthesis inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Infection due to Pseudomonas aeruginosa | indication | 11218009 | |
| Infection of skin AND/OR subcutaneous tissue | indication | 19824006 | |
| Acute gonococcal cervicitis | indication | 20943002 | DOID:10615 |
| Staphylococcal pneumonia | indication | 22754005 | |
| Acute gonococcal urethritis | indication | 29864006 | |
| Acute bacterial peritonitis | indication | 31860008 | |
| Postoperative infection | indication | 33910007 | |
| Pneumonia due to Streptococcus | indication | 34020007 | |
| Pneumonia due to Pseudomonas | indication | 41381004 | |
| Gonorrhea of rectum | indication | 42746002 | |
| Pneumonia due to Mycoplasma pneumoniae | indication | 46970008 | |
| Pneumonia due to Escherichia coli | indication | 51530003 | |
| Acute gonococcal endometritis | indication | 65295003 | DOID:7527 |
| Miscarriage with sepsis | indication | 67465009 | |
| Urinary tract infectious disease | indication | 68566005 | |
| Haemophilus influenzae pneumonia | indication | 70036007 | |
| Acute bacterial sinusitis | indication | 75498004 | |
| Endomyometritis | indication | 88027004 | |
| Female genital tract infection | indication | 125585007 | |
| Infectious disease of abdomen | indication | 128070006 | |
| Postnatal infection | indication | 178280004 | |
| Bacterial infection due to Klebsiella pneumoniae | indication | 186435004 | |
| Chlamydial pelvic inflammatory disease | indication | 188463006 | |
| Acute Moraxella catarrhalis bronchitis | indication | 195722003 | |
| Acute bacterial bronchitis | indication | 233598009 | |
| Chlamydial pneumonia | indication | 233609002 | |
| Female pelvic cellulitis | indication | 280486004 | |
| Streptococcal Septic Abortion | indication | ||
| Complicated Klebsiella Peritonitis | indication | ||
| Complicated E. Coli Peritonitis | indication | ||
| Enterococcus Endomyometritis | indication | ||
| Complicated Streptococcus Peritonitis | indication | ||
| Complicated Skin and Skin Structure Pseudomonas Aeruginosa Infection | indication | ||
| Complicated Bacteroides Peritonitis | indication | ||
| Prevotella Postpartum Infection | indication | ||
| Gardnerella Endomyometritis | indication | ||
| Gardnerella Postpartum Infection | indication | ||
| Peptostreptococcus Pelvic Cellulitis | indication | ||
| Prevotella Septic Abortion | indication | ||
| Bacteroides Septic Abortion | indication | ||
| E. Coli Endomyometritis | indication | ||
| Colorectal Surgery Infection Prevention | indication | ||
| Vaginal Hysterectomy Infection Prevention | indication | ||
| Pelvic Inflammatory Disease with Neisseria Gonorrhea | indication | ||
| Chronic Bacterial Prostatitis | indication | ||
| Haemophilus Parainfluenzae Bronchitis | indication | ||
| Haemophilus Influenzae Bronchitis | indication | ||
| Streptococcus Pneumoniae Bronchitis | indication | ||
| Staphylococcus Aureus Bronchitis | indication | ||
| Chlamydia Cervicitis | indication | ||
| Complicated Skin and Skin Structure Enterococcus Faecalis Infection | indication | ||
| Moraxella Catarrhalis Pneumonia | indication | ||
| Streptococcal Endomyometritis | indication | ||
| Peptostreptococcus Postpartum Infection | indication | ||
| Legionella Pneumophila Pneumonia | indication | ||
| Peptostreptococcus Septic Abortion | indication | ||
| Streptococcal Postpartum Infection | indication | ||
| E. Coli Pelvic Cellulitis | indication | ||
| E. Coli Postpartum Infection | indication | ||
| Enterococcus Postpartum Infection | indication | ||
| E. Coli Septic Abortion | indication | ||
| Peptostreptococcus Endomyometritis | indication | ||
| Gardnerella Septic Abortion | indication | ||
| Prevotella Endomyometritis | indication | ||
| Complicated Bacterial Peritonitis | indication | ||
| Complicated Skin and Skin Structure Staphylococcus Aureus Infection | indication | ||
| Prevotella Pelvic Cellulitis | indication | ||
| Streptococcal Pelvic Cellulitis | indication | ||
| Bacteroides Postpartum Infection | indication | ||
| Gardnerella Pelvic Cellulitis | indication | ||
| Enterococcus Pelvic Cellulitis | indication | ||
| Complicated Skin and Skin Structure Proteus Infection | indication | ||
| Enterococcus Septic Abortion | indication | ||
| Complicated Skin and Skin Structure E. Coli Infection | indication | ||
| Bacteroides Pelvic Cellulitis | indication | ||
| Bacteroides Endomyometritis | indication | ||
| Complicated Skin and Skin Structure Streptococcus Agalactiae Infection | indication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.92 | acidic |
| pKa2 | 8.56 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Transporter | Ki | 4.31 | DRUG MATRIX | |||||
| Thromboxane-A synthase | Enzyme | IC50 | 5.40 | DRUG MATRIX | |||||
| Topoisomerase IV | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
| DNA gyrase | Enzyme | INHIBITOR | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4024108 | VUID |
| N0000022113 | NUI |
| D02123 | KEGG_DRUG |
| 4021091 | VANDF |
| 4024108 | VANDF |
| C0379881 | UMLSCUI |
| CHEBI:9763 | CHEBI |
| TR6 | PDB_CHEM_ID |
| CHEMBL428 | ChEMBL_ID |
| CHEMBL1200779 | ChEMBL_ID |
| DB00685 | DRUGBANK_ID |
| C080163 | MESH_SUPPLEMENTAL_RECORD_UI |
| 62959 | PUBCHEM_CID |
| 13476 | IUPHAR_LIGAND_ID |
| 7370 | INN_ID |
| 147059-75-4 | SECONDARY_CAS_RN |
| 9F388J00UK | UNII |
| 115552 | RXNORM |
| 5646 | MMSL |
| 7888 | MMSL |
| d04263 | MMSL |
| 007320 | NDDF |
| 007321 | NDDF |
| 116542007 | SNOMEDCT_US |
| 371322001 | SNOMEDCT_US |
| 96092008 | SNOMEDCT_US |
None