Compound Detail
CHEMBL5171834
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Basic Information
| ChEMBL ID | CHEMBL5171834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODUYWULJYRWPSN-YVWKXTFCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.9
MW (Da)
3.54
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type II NADH:quinone oxidoreductase Ndh CHEMBL5169228 | IC50 | 7.55 | 7.465 | 28.0 | 2 |
| Type II NADH:quinone oxidoreductase NdhA CHEMBL5169229 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type II NADH:quinone oxidoreductase Ndh | IC50 | = | 28.0 | nM | 7.55 | Inhibition of Mycobacterium tuberculosis recombinant type II NADH dehydrogenase ... | 36473699 |
| Type II NADH:quinone oxidoreductase Ndh | IC50 | = | 42.0 | nM | 7.38 | Inhibition of Mycobacterium smegmatis MC2 155 recombinant type II NADH dehydroge... | 36473699 |
| Type II NADH:quinone oxidoreductase NdhA | IC50 | = | 96.0 | nM | 7.02 | Inhibition of Mycobacterium smegmatis MC2 155 recombinant ndhA assessed as rate ... | 36473699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Mycobacterium tuberculosis | 2 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Type II NADH:quinone oxidoreductase Ndh | 2 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Type II NADH:quinone oxidoreductase NdhA | 1 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine