Molecule Details
| InChIKey | VAAUVRVFOQPIGI-SPQHTLEESA-N |
|---|---|
| Compound Name | Ceftriaxone |
| Canonical SMILES | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01212 |
|---|---|
| Drug Name | Ceftriaxone |
| CAS Number | 73384-59-5 |
| Groups | approved investigational |
| ATC Codes | J01DD04 J01DD54 |
| Description | Ceftriaxone is a broad-spectrum third-generation cephalosporin antibiotic.[A215582] It has a very long half-life compared to other cephalosporins and is high penetrable into the meninges[A215582], eyes[A215647], and inner ear[A215627]. Ceftriaxone has broader and stronger gram-negative coverage then... |
Categories: Amides Anti-Bacterial Agents Anti-Infective Agents Antibacterials for Systemic Use Antiinfectives for Systemic Use Cephalosporins Drugs that are Mainly Renally Excreted Heterocyclic Compounds, Fused-Ring Lactams Nephrotoxic agents OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors P-glycoprotein inhibitors Sulfur Compounds Thiazines Third-Generation Cephalosporins beta Lactam Antibiotics beta-Lactams
Cross-references: BindingDB: 50103601 ChEBI: 29007 CHEMBL161 ChemSpider: 4586394 Drugs Product Database (DPD): 11309 C06683 D07659 PharmGKB: PA448866 PubChem:5479530 PubChem:46506458 RxCUI: 2193 Therapeutic Targets Database: DAP000145 Wikipedia: Ceftriaxone ZINC: ZINC000028467879
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q4U2R8 | SLC22A6 | Homo sapiens | Human | PF00083 | 6.6 | Ki | ChEMBL;BindingDB |
| P37840 | SNCA | Homo sapiens | Human | PF01387 | 6.3 | Kd | ChEMBL;BindingDB |
| P14677 | pbpX | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF03793 PF03717 PF00905 | 6.7 | IC50 | BindingDB |
| Q53729 | pbp2 | Staphylococcus aureus | Pathogen | PF00912 PF00905 | 6.7 | IC50 | BindingDB |
| Q2TL65 | pbpA | Escherichia coli | Pathogen | PF03717 PF00905 | 6.4 | IC50 | BindingDB |
| Q04707 | ponA | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF00912 PF00905 | 6.3 | IC50 | BindingDB |
| Q7DHH4 | mecA | Staphylococcus aureus | Pathogen | PF05223 PF03717 PF00905 | 6.3 | IC50 | BindingDB |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | other/unknown | carriers |
| P15104 | P15104 | Glutamine synthetase | inducer | enzymes |
| P0A3M6 | P0A3M6 | Penicillin-binding protein 2B | inhibitor | targets |
| P46059 | SLC15A1 | Solute carrier family 15 member 1 | inhibitor | targets |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | targets |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | targets |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P46059 | SLC15A1 | Solute carrier family 15 member 1 | inhibitor | transporters |
| Q16348 | Q16348 | Solute carrier family 15 member 2 | inhibitor | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | inhibitor | transporters |