Stem definition | Drug id | CAS RN |
---|---|---|
antibiotics, oxacefalosporanic acid derivatives | 1851 | 64952-97-2 |
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) | 76 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 54.89 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 85 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 0.17 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 0.72 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.39 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 2.90 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
None | FDA | LILLY |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | J01DD06 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Third-generation cephalosporins |
MeSH PA | D000900 | Anti-Bacterial Agents |
MeSH PA | D000890 | Anti-Infective Agents |
CHEBI has role | CHEBI:36047 | antibacterial drugs |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 2.92 | acidic |
pKa2 | 7.41 | acidic |
pKa3 | 9.82 | acidic |
pKa4 | 13.92 | acidic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Peptidoglycan synthase FtsI | Enzyme | INHIBITOR | IC50 | 5.94 | WOMBAT-PK | CHEMBL | |||
Penicillin-binding protein 1A | Enzyme | INHIBITOR | IC50 | 6.72 | WOMBAT-PK | CHEMBL | |||
Penicillin-binding protein 1B | Enzyme | INHIBITOR | IC50 | 4.64 | WOMBAT-PK | CHEMBL |
ID | Source |
---|---|
4017540 | VUID |
N0000179709 | NUI |
D02198 | KEGG_DRUG |
4017540 | VANDF |
4019847 | VANDF |
C0026651 | UMLSCUI |
CHEBI:599928 | CHEBI |
MXL | PDB_CHEM_ID |
CHEMBL74632 | ChEMBL_ID |
CHEMBL1200357 | ChEMBL_ID |
DB04570 | DRUGBANK_ID |
12031 | IUPHAR_LIGAND_ID |
64953-12-4 | SECONDARY_CAS_RN |
47499 | PUBCHEM_CID |
258330 | RXNORM |
002806 | NDDF |
004889 | NDDF |
350135006 | SNOMEDCT_US |
387099009 | SNOMEDCT_US |
387259002 | SNOMEDCT_US |
D009070 | MESH_DESCRIPTOR_UI |
4880 | INN_ID |
VUF6C936Z3 | UNII |
None