| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 574 | 153-61-7 |
| 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) | 52 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 252.24 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) | 0.07 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.80 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.22 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 0.95 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 18, 1974 | FDA | LILLY |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01DB03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS First-generation cephalosporins |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000890 | Anti-Infective Agents |
| CHEBI has role | CHEBI:33281 | antibiotics |
| CHEBI has role | CHEBI:36047 | antibacterial drugs |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Bacterial septicemia | indication | 10001005 | DOID:0040085 |
| Infection of skin AND/OR subcutaneous tissue | indication | 19824006 | |
| Pneumonia due to Streptococcus | indication | 34020007 | |
| Lower respiratory tract infection | indication | 50417007 | |
| Urinary tract infectious disease | indication | 68566005 | |
| Haemophilus influenzae pneumonia | indication | 70036007 | |
| Infection of bone | indication | 111253001 | |
| Female genital tract infection | indication | 125585007 | |
| Bacterial infection due to Klebsiella pneumoniae | indication | 186435004 | |
| Pneumonia | indication | 233604007 | DOID:552 |
| Infectious disorder of joint | indication | 363162000 | |
| Genitourinary Tract Infections | indication | ||
| Prevention of Perioperative Infection | indication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.39 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 8 | Transporter | INHIBITOR | IC50 | 7.59 | IUPHAR | ||||
| Matrix metalloproteinase-9 | Enzyme | IC50 | 4.66 | WOMBAT-PK | |||||
| Prostaglandin G/H synthase 2 | Enzyme | IC50 | 4.70 | WOMBAT-PK | |||||
| Somatostatin receptor type 4 | GPCR | IC50 | 4.40 | WOMBAT-PK | |||||
| Tyrosine-protein phosphatase non-receptor type 7 | Enzyme | IC50 | 6.04 | WOMBAT-PK | |||||
| Solute carrier family 22 member 11 | Transporter | INHIBITOR | Ki | 6.70 | IUPHAR | ||||
| Bacterial penicillin-binding protein | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
| Penicillin-binding protein 1A | Enzyme | WOMBAT-PK |
| ID | Source |
|---|---|
| 4017538 | VUID |
| N0000178975 | NUI |
| D00907 | KEGG_DRUG |
| 58-71-9 | SECONDARY_CAS_RN |
| 2236 | RXNORM |
| C0007735 | UMLSCUI |
| CHEBI:124991 | CHEBI |
| CLS | PDB_CHEM_ID |
| CHEMBL1632 | ChEMBL_ID |
| CHEMBL617 | ChEMBL_ID |
| DB00456 | DRUGBANK_ID |
| 8798 | IUPHAR_LIGAND_ID |
| 6024 | PUBCHEM_CID |
| 3072 | MMSL |
| 4395 | MMSL |
| d00186 | MMSL |
| 002712 | NDDF |
| 004840 | NDDF |
| 373485007 | SNOMEDCT_US |
| 37628007 | SNOMEDCT_US |
| 59937009 | SNOMEDCT_US |
| D002512 | MESH_DESCRIPTOR_UI |
| 1477 | INN_ID |
| 4017538 | VANDF |
| 4019669 | VANDF |
| C22G6EYP8B | UNII |
None