Compound Detail
CHEMBL702
PIPERACILLIN 💊 Approved Drug
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💊 Approved Drug
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL702 |
| Name | PIPERACILLIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | IVBHGBMCVLDMKU-GXNBUGAJSA-N |
| Therapeutic | ✓ Yes |
2
Targets
7
Activities
2
Assay Types
13
PK Parameters
20
Publications
8
Known Names
20
Indications
Molecular Properties
517.6
MW (Da)
-0.24
ALogP
7
HBA
3
HBD
156.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1981 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Abscess Cholecystitis, Acute Diabetic Foot Enterobacteriaceae Infections Hematologic Neoplasms Infections Influenza, Human Pneumonia Pneumonia, Bacterial Pneumonia, Ventilator-Associated Pseudomonas Infections Sepsis Severe Acute Respiratory Syndrome Shock, Septic Urinary Tract Infections Appendicitis Communicable Diseases Graft vs Host Disease Otitis Media
ATC Classification
J01CA12
piperacillin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
Ki 4 meas. best 6.7
IC50 3 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
| PER-2 beta-lactamase CHEMBL5303 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.7 | 5.8333 | 200.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.78 | L/hr | Homo sapiens |
| CL | 11.7 | L/hr | Homo sapiens |
| CL | 11.3 | L/hr | Homo sapiens |
| CL | 11.3 | L/hr | Homo sapiens |
| CL | 4.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4.0 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.5 | - | Homo sapiens |
| MRT | 0.85 | hr | Homo sapiens |
| MRT | 1.02 | hr | Homo sapiens |
| MRT | 1.1 | hr | Homo sapiens |
| T1/2 | 0.69 | hr | Homo sapiens |
| T1/2 | 1.05 | hr | Homo sapiens |
| T1/2 | 0.96 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 166.0 | nM | 6.78 | Binding affinity to penicillin-binding protein (unknown origin) | 26230724 |
| PER-2 beta-lactamase | Ki | = | 200.0 | nM | 6.7 | Inhibition of Citrobacter freundii PER2 beta lactamase | 17438050 |
| Unchecked | Ki | = | 200.0 | nM | 6.7 | Inhibition of Aeromonas enteropelogenes Beta-lactamase TRU1 | 20124004 |
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Inhibition of Achromobacter xylosoxidans CIP69598 beta-lactamase OXA-114a expres... | 18362192 |
| Unchecked | Ki | = | 16000.0 | nM | 4.8 | Activity at Escherichia coli DH10B beta-lactamase KPC-2 by diode array spectroph... | 20008772 |
Literature References
Data from ChEMBL 36 via Core Engine