Compound Detail
CHEMBL614
PYRAZINAMIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL614 |
| Name | PYRAZINAMIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | IPEHBUMCGVEMRF-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL613 |
1
Targets
9
Activities
3
Assay Types
30
PK Parameters
20
Publications
25
Known Names
8
Indications
2
Mechanisms
Molecular Properties
123.1
MW (Da)
-0.42
ALogP
3
HBA
1
HBD
68.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1971 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Fatty acid synthase inhibitor | INHIBITOR | Fatty acid synthase | ✓ | ✓ |
| 70S ribosome inhibitor | INHIBITOR | 70S ribosome | ✓ | ✓ |
Indications
Tuberculosis Tuberculosis, Pulmonary Meningitis Tuberculosis, Multidrug-Resistant Tuberculosis, Multidrug-Resistant Acquired Immunodeficiency Syndrome HIV Infections Osteomyelitis
ATC Classification
J04AK01
pyrazinamide
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIMYCOBACTERIALS
Activity Summary
IC50 6 meas.
Ki 2 meas. best 4.39
Kd 1 meas. best 4.16
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 514500.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 472800.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 0.5 | hr | Mus musculus |
| AUC | 409000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 468000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 31.82 | - | Cavia porcellus |
| AUC | 2189200.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 2267000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 2162000.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 4.11 | L/hr | Homo sapiens |
| CL | 3.97 | L/hr | Homo sapiens |
| CL | 4.16 | L/hr | Homo sapiens |
| CL | 1.667 | mL.min-1.kg-1 | Mycobacterium tuberculosis H37Rv |
| Cmax | 373649.58 | nM | Homo sapiens |
| Cmax | 355779.38 | nM | Homo sapiens |
| Cmax | 513362.03 | nM | Mus musculus |
| Cmax | 481926.73 | nM | Homo sapiens |
| Cmax | 369588.17 | nM | Homo sapiens |
| Cmax | 381772.4 | nM | Homo sapiens |
| Cmax | 164080.9 | nM | Homo sapiens |
| Cmax | 274551.21 | nM | Homo sapiens |
| Cmax | 548290.15 | nM | Homo sapiens |
| Ka | 3.45 | /hr | Mycobacterium tuberculosis H37Rv |
| T1/2 | 6.6 | hr | Homo sapiens |
| T1/2 | 6.9 | hr | Homo sapiens |
| T1/2 | 1.1 | hr | Mus musculus |
| Tmax | 2.5 | hr | Homo sapiens |
| Tmax | 2.75 | hr | Homo sapiens |
| Tmax | 197.0 | ug.hr/ml | Mus musculus |
| Tmax | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 41000.0 | nM | 4.39 | Competitive inhibition of Mycobacterium tuberculosis fatty acid synthase 1 asses... | 21775138 |
| Unchecked | Kd | = | 70000.0 | nM | 4.16 | Binding affinity to Mycobacterium tuberculosis fatty acid synthase 1 by STD NMR ... | 21775138 |
Literature References
Data from ChEMBL 36 via Core Engine