Stem definition | Drug id | CAS RN |
---|---|---|
antibiotics, 6-aminopenicillanic acid derivatives | 492 | 4697-36-3 |
Dose | Unit | Route |
---|---|---|
12 | 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) | 82 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 115.37 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 35 % | 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) | 1.90 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.52 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 1.10 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
None | FDA | ROERIG |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | J01CA03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE BETA-LACTAM ANTIBACTERIALS, PENICILLINS Penicillins with extended spectrum |
FDA CS | M0016152 | Penicillins |
FDA EPC | N0000175497 | Penicillin-class 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 |
---|---|---|---|
Prostatitis | indication | 9713002 | DOID:14654 |
Urinary tract infectious disease | indication | 68566005 | |
Escherichia coli urinary tract infection | indication | 301011002 | |
Proteus urinary tract infection | indication | 301012009 | |
Bacterial urinary infection | indication | 312124009 | |
Enterococcus Prostatitis | indication | ||
Pseudomonas Aeruginosa Urinary Tract Infection | indication | ||
Proteus Prostatitis | indication | ||
Enterobacter Prostatitis | indication | ||
Morganella Morganii Urinary Tract Infection | indication | ||
Enterococcus Urinary Tract Infection | indication | ||
Providencia Urinary Tract Infection | indication | ||
Kidney disease | contraindication | 90708001 | DOID:557 |
Infectious mononucleosis | contraindication | 271558008 | DOID:8568 |
Pseudomembranous enterocolitis | contraindication | 397683000 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 2.59 | acidic |
pKa2 | 3.22 | acidic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Muscarinic acetylcholine receptor M1 | GPCR | IC50 | 5.37 | WOMBAT-PK | |||||
Muscarinic acetylcholine receptor M3 | GPCR | IC50 | 5 | WOMBAT-PK | |||||
Bacterial penicillin-binding protein | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
Penicillin-binding protein 1A | Enzyme | WOMBAT-PK |
ID | Source |
---|---|
4019654 | VUID |
N0000147746 | NUI |
D07614 | KEGG_DRUG |
2015 | RXNORM |
C0006976 | UMLSCUI |
CHEBI:3393 | CHEBI |
0JM | PDB_CHEM_ID |
CHEMBL1214 | ChEMBL_ID |
DB00578 | DRUGBANK_ID |
D002228 | MESH_DESCRIPTOR_UI |
20824 | PUBCHEM_CID |
10768 | IUPHAR_LIGAND_ID |
2516 | INN_ID |
4800-94-6 | SECONDARY_CAS_RN |
17230-86-3 | SECONDARY_CAS_RN |
G42ZU72N5G | UNII |
d00092 | MMSL |
14438009 | SNOMEDCT_US |
34731007 | SNOMEDCT_US |
372713001 | SNOMEDCT_US |
CHEMBL606260 | ChEMBL_ID |
CHEMBL2105992 | ChEMBL_ID |
4018407 | VANDF |
4019654 | VANDF |
002700 | NDDF |
002701 | NDDF |
None