Compound Detail
CHEMBL227875
PRETOMANID 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL227875 |
| Name | PRETOMANID |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | ZLHZLMOSPGACSZ-NSHDSACASA-N |
| Therapeutic | ✓ Yes |
8
Targets
16
Activities
2
Assay Types
30
PK Parameters
20
Publications
5
Known Names
4
Indications
1
Mechanisms
Molecular Properties
359.3
MW (Da)
2.67
ALogP
7
HBA
0
HBD
88.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2019 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Tuberculosis Tuberculosis, Multidrug-Resistant Tuberculosis, Multidrug-Resistant Tuberculosis, Pulmonary
ATC Classification
J04AK08
pretomanid
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIMYCOBACTERIALS
Activity Summary
IC50 13 meas. best 6.4
EC50 3 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 6.4 | 6.225 | 400.0 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 5.52 | 5.5133 | 3000.0 | 3 |
| Leishmania donovani CHEMBL367 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.03 | 5.02 | 9300.0 | 3 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.72 | 4.71 | 19000.0 | 2 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 4.52 | 4.4833 | 30500.0 | 3 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 26540.0 | ng.hr.mL-1 | Cavia porcellus |
| AUC | 25770.0 | ng.hr.mL-1 | Cavia porcellus |
| AUC | 14800.0 | ng.hr.mL-1 | Cavia porcellus |
| AUC | 32340.0 | ng.hr.mL-1 | Cavia porcellus |
| AUC | 50960.0 | ng.hr.mL-1 | Cavia porcellus |
| AUC | 70400.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 7500.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | - | - | Mus musculus |
| AUC | 50900.0 | ng.hr.mL-1 | Mus musculus |
| CL | 12.1 | mL.min-1.kg-1 | Mus musculus |
| CL | 25.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 12.1 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 25580.36 | nM | Cavia porcellus |
| Cmax | 11523.69 | nM | Cavia porcellus |
| Cmax | 5594.83 | nM | Cavia porcellus |
| Cmax | 9519.57 | nM | Cavia porcellus |
| Cmax | 12748.43 | nM | Cavia porcellus |
| Cmax | 10577.3 | nM | Mus musculus |
| Cmax | 835.05 | nM | Homo sapiens |
| Cmax | 16701.0 | nM | Mus musculus |
| F | 0.56 | % | Cavia porcellus |
| F | 0.59 | % | Cavia porcellus |
| F | 2.11 | % | Cavia porcellus |
| F | 0.63 | % | Cavia porcellus |
| F | 1.12 | % | Cavia porcellus |
| F | 0.62 | % | Cavia porcellus |
| F | 0.74 | % | Cavia porcellus |
| F | 100.0 | % | Mus musculus |
| MRT | 2.69 | hr | Cavia porcellus |
| MRT | 5.37 | hr | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine