| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, 6-aminopenicillanic acid derivatives | 277 | 37091-66-0 |
| 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) | 65 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 650.05 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) | 0.26 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 2.50 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.65 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.20 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 3, 1982 | FDA | BAYER PHARMACEUTICALS CORP |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01CA09 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE BETA-LACTAM ANTIBACTERIALS, PENICILLINS Penicillins with extended spectrum |
| CHEBI has role | CHEBI:36047 | antibacterial drugs |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000890 | Anti-Infective Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Bacterial septicemia | indication | 10001005 | DOID:0040085 |
| Infection of skin AND/OR subcutaneous tissue | indication | 19824006 | |
| Pneumonia due to Pseudomonas | indication | 41381004 | |
| Pneumonia due to Escherichia coli | indication | 51530003 | |
| Urinary tract infectious disease | indication | 68566005 | |
| Haemophilus influenzae pneumonia | indication | 70036007 | |
| Bacterial infection due to Serratia | indication | 71120004 | |
| Infection of bone | indication | 111253001 | |
| Bacterial infection due to Klebsiella pneumoniae | indication | 186435004 | |
| Infectious disorder of joint | indication | 363162000 | |
| Aspiration pneumonia | indication | 422588002 | DOID:3240 |
| Enterobacter Pneumonia | indication | ||
| Cholangitis | off-label use | 82403002 | DOID:9446 |
| Infectious disease of abdomen | off-label use | 128070006 | |
| Abscess of brain | off-label use | 441806004 | |
| Pseudomonas Aeruginosa Meningitis | off-label use | ||
| 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 | 2.79 | acidic |
| pKa2 | 12.4 | acidic |
| pKa3 | 12.92 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Penicillin-binding protein | Enzyme | INHIBITOR | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4019621 | VUID |
| N0000147715 | NUI |
| D02339 | KEGG_DRUG |
| 1266 | RXNORM |
| C0004499 | UMLSCUI |
| CHEBI:2956 | CHEBI |
| CHEMBL1537 | ChEMBL_ID |
| D001390 | MESH_DESCRIPTOR_UI |
| DB01061 | DRUGBANK_ID |
| 12260 | IUPHAR_LIGAND_ID |
| 4011 | INN_ID |
| 37091-65-9 | SECONDARY_CAS_RN |
| HUM6H389W0 | UNII |
| 6479523 | PUBCHEM_CID |
| 10730008 | SNOMEDCT_US |
| 387308000 | SNOMEDCT_US |
| 55432002 | SNOMEDCT_US |
| CHEMBL1201041 | ChEMBL_ID |
| 4018389 | VANDF |
| 4019621 | VANDF |
| 002697 | NDDF |
| 004836 | NDDF |
None