| 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