| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 558 | 62587-73-9 |
| Dose | Unit | Route |
|---|---|---|
| 4 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 50 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 60 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 187.77 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 0.29 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.96 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.64 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1981 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01DD03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Third-generation cephalosporins |
| CHEBI has role | CHEBI:36047 | antibacterial drugs |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000890 | Anti-Infective Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 0.17 | acidic |
| pKa2 | 2.83 | acidic |
| pKa3 | 12.0 | acidic |
| pKa4 | 12.33 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 | Kinase | EC50 | 7.15 | CHEMBL | |||||
| Tyrosine-protein phosphatase non-receptor type 11 | Enzyme | IC50 | 4.77 | CHEMBL | |||||
| Lethal(3)malignant brain tumor-like protein 1 | Unclassified | IC50 | 7.01 | CHEMBL | |||||
| Protein-tyrosine phosphatase 1C | Enzyme | IC50 | 4.68 | CHEMBL | |||||
| Penicillin-binding protein 1A | Enzyme | IC50 | 6.52 | WOMBAT-PK | |||||
| Penicillin-binding protein 1B | Enzyme | IC50 | 5.33 | WOMBAT-PK | |||||
| tRNA 2'-phosphotransferase | Unclassified | IC50 | 5.77 | CHEMBL |
| ID | Source |
|---|---|
| N0000166876 | NUI |
| D02005 | KEGG_DRUG |
| 2190 | RXNORM |
| C0007558 | UMLSCUI |
| CHEBI:3507 | CHEBI |
| CHEMBL3351077 | ChEMBL_ID |
| CHEMBL1617285 | ChEMBL_ID |
| D002441 | MESH_DESCRIPTOR_UI |
| DB13499 | DRUGBANK_ID |
| 10783 | IUPHAR_LIGAND_ID |
| 4390 | INN_ID |
| 52152-93-9 | SECONDARY_CAS_RN |
| OV42LHE42B | UNII |
| 656575 | PUBCHEM_CID |
| 003801 | NDDF |
| 003802 | NDDF |
| 387537000 | SNOMEDCT_US |
| 96053001 | SNOMEDCT_US |
| 3LU | PDB_CHEM_ID |
| CHEMBL1590946 | ChEMBL_ID |
| CHEMBL1343544 | ChEMBL_ID |
None