| 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