| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, 6-aminopenicillanic acid derivatives | 1648 | 32887-01-7 |
| Dose | Unit | Route |
|---|---|---|
| 1.20 | g | P |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 184.37 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 5 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.37 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 6.30 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.90 % | 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 | ROCHE |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01CA11 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE BETA-LACTAM ANTIBACTERIALS, PENICILLINS Penicillins with extended spectrum |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000892 | Anti-Infective Agents, Urinary |
| CHEBI has role | CHEBI:35441 | antiinfective agents |
| CHEBI has role | CHEBI:36047 | antibacterial drugs |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.38 | acidic |
| pKa2 | 9.07 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Penicillin-binding protein 2 | Enzyme | INHIBITOR | IC50 | 7.04 | WOMBAT-PK | CHEMBL |
| ID | Source |
|---|---|
| N0000167000 | NUI |
| D02888 | KEGG_DRUG |
| C0002435 | UMLSCUI |
| CHEBI:51208 | CHEBI |
| CHEMBL530 | ChEMBL_ID |
| DB01163 | DRUGBANK_ID |
| 36273 | PUBCHEM_CID |
| 12813 | IUPHAR_LIGAND_ID |
| 626 | RXNORM |
| 002710 | NDDF |
| 387541001 | SNOMEDCT_US |
| 96063009 | SNOMEDCT_US |
| D000560 | MESH_DESCRIPTOR_UI |
| DH4 | PDB_CHEM_ID |
| 3494 | INN_ID |
| V10579P3QZ | UNII |
None