Stem definition | Drug id | CAS RN |
---|---|---|
antibiotics, cefalosporanic acid derivatives | 563 | 68401-81-0 |
Dose | Unit | Route |
---|---|---|
4 | g | P |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 93 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 260.82 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 0 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 0.20 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 2.10 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.72 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 1.50 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 81 mg/mL | Bocci G, Oprea TI, Benet LZ |
Date | Agency | Company | Orphan |
---|---|---|---|
Sept. 15, 1983 | FDA |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | J01DD07 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Third-generation cephalosporins |
FDA CS | M0003827 | Cephalosporins |
FDA EPC | N0000175488 | Cephalosporin Antibacterial |
CHEBI has role | CHEBI:36047 | antibacterial drugs |
MeSH PA | D000900 | Anti-Bacterial Agents |
MeSH PA | D000890 | Anti-Infective Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Streptococcal meningitis | indication | 4510004 | DOID:11574 |
Meningitis | indication | 7180009 | DOID:9471 |
Septicemia due to Escherichia coli | indication | 9323009 | |
Bacterial septicemia | indication | 10001005 | DOID:0040085 |
Gonorrhea | indication | 15628003 | DOID:7551 |
Infection of skin AND/OR subcutaneous tissue | indication | 19824006 | |
Acute gonococcal cervicitis | indication | 20943002 | DOID:10615 |
Staphylococcal pneumonia | indication | 22754005 | |
Streptococcal septicemia | indication | 29577008 | |
Acute gonococcal urethritis | indication | 29864006 | |
Pneumonia due to Streptococcus | indication | 34020007 | |
Gonorrhea of rectum | indication | 42746002 | |
Lower respiratory tract infection | indication | 50417007 | |
Pneumonia due to Escherichia coli | indication | 51530003 | |
Klebsiella cystitis | indication | 60867007 | |
Acute gonococcal endometritis | indication | 65295003 | DOID:7527 |
Urinary tract infectious disease | indication | 68566005 | |
Haemophilus influenzae pneumonia | indication | 70036007 | |
Infection due to Escherichia coli | indication | 71057007 | |
Bacterial infection due to Serratia | indication | 71120004 | |
Rhinoscleroma | indication | 72409005 | DOID:11336 |
Septicemia due to Bacteroides | indication | 79587009 | |
Septicemia due to Serratia | indication | 82091000 | |
Infection of bone | indication | 111253001 | |
Infectious disease of abdomen | indication | 128070006 | |
Infection due to Enterobacteriaceae | indication | 128945009 | |
Bacterial infection due to Klebsiella pneumoniae | indication | 186435004 | |
Proteus pneumonia | indication | 195888009 | |
Bacterial peritonitis | indication | 197171003 | |
Pneumonia | indication | 233604007 | DOID:552 |
Escherichia coli urinary tract infection | indication | 301011002 | |
Proteus urinary tract infection | indication | 301012009 | |
Streptococcus pyogenes infection | indication | 302809008 | |
Bacterial urinary infection | indication | 312124009 | |
Infectious disorder of joint | indication | 363162000 | |
Infection due to Staphylococcus aureus | indication | 406602003 | |
Osteomyelitis due to Staphylococcus aureus | indication | 428783003 | |
Sepsis due to Staphylococcus aureus | indication | 448417001 | |
Peptostreptococcus infection | indication | 135341000119101 | |
Staphylococcus Peritonitis | indication | ||
Skin and Skin Structure Serratia Infection | indication | ||
E. Coli Peritonitis | indication | ||
Streptococcus Osteomyelitis | indication | ||
Proteus Mirabilis Osteomyelitis | indication | ||
Peptostreptococcus Peritonitis | indication | ||
Morganella Morganii Urinary Tract Infection | indication | ||
Staphylococcus Aureus Joint Infection | indication | ||
Skin and Skin Structure Peptococcus Infection | indication | ||
Peptostreptococcus Joint Infection | indication | ||
Staphylococcus Aureus Urinary Tract Infection | indication | ||
Peptococcus Osteomyelitis | indication | ||
Proteus Joint Infection | indication | ||
Streptococcal Pelvic Inflammatory Disease | indication | ||
Peptococcus Joint Infection | indication | ||
Peptostreptococcus Osteomyelitis | indication | ||
Bacteroides Joint Infection | indication | ||
Skin and Skin Structure Proteus Infection | indication | ||
Skin and Skin Structure Bacteroides Fragilis Infection | indication | ||
H. Influenzae Meningitis | indication | ||
Peptococcus Peritonitis | indication | ||
Staphylococcus Epidermidis Skin and Skin Structure Infection | indication | ||
Pelvic Inflammatory Disease with Neisseria Gonorrhea | indication | ||
Serratia Urinary Tract Infection | indication | ||
Klebsiella Pneumoniae Peritonitis | indication | ||
Bacteroides Osteomyelitis | indication | ||
E. Coli Pelvic Inflammatory Disease | indication | ||
Streptococcal Joint Infection | indication | ||
Pseudomonas Aeruginosa Urinary Tract Infection | indication | ||
Enterobacter Pneumonia | indication | ||
Streptococcal Peritonitis | indication | ||
Bacteroides Peritonitis | indication | ||
Providencia Urinary Tract Infection | indication | ||
Bacteroides Pneumonia | indication | ||
Pyrexia of unknown origin | off-label use | 7520000 | |
Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
Factor II deficiency | contraindication | 73975000 | |
Kidney disease | contraindication | 90708001 | DOID:557 |
Pseudomembranous enterocolitis | contraindication | 397683000 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 2.58 | acidic |
pKa2 | 13.14 | acidic |
pKa3 | 3.25 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Bacterial penicillin-binding protein | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
Penicillin-binding protein 1A | Enzyme | WOMBAT-PK | |||||||
Beta-lactamase | Enzyme | WOMBAT-PK |
ID | Source |
---|---|
4017998 | VUID |
N0000179458 | NUI |
D00923 | KEGG_DRUG |
68401-82-1 | SECONDARY_CAS_RN |
2192 | RXNORM |
C0007560 | UMLSCUI |
CHEBI:553473 | CHEBI |
CHEMBL528 | ChEMBL_ID |
CHEMBL1201019 | ChEMBL_ID |
DB01332 | DRUGBANK_ID |
D015296 | MESH_DESCRIPTOR_UI |
6533629 | PUBCHEM_CID |
10785 | IUPHAR_LIGAND_ID |
4743 | INN_ID |
C43C467DPE | UNII |
4386 | MMSL |
d00010 | MMSL |
002729 | NDDF |
004847 | NDDF |
372770006 | SNOMEDCT_US |
54577009 | SNOMEDCT_US |
5681006 | SNOMEDCT_US |
4017998 | VANDF |
4019666 | VANDF |
None