Compound Detail
CHEMBL5182198
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5182198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJYVCBMQCHHPSW-QWFCFKBJSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
328.5
MW (Da)
2.88
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type II NADH:quinone oxidoreductase Ndh CHEMBL5169228 | IC50 | 6.47 | 6.4 | 340.0 | 2 |
| Type II NADH:quinone oxidoreductase NdhA CHEMBL5169229 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type II NADH:quinone oxidoreductase Ndh | IC50 | = | 340.0 | nM | 6.47 | Inhibition of Mycobacterium tuberculosis recombinant type II NADH dehydrogenase ... | 36473699 |
| Type II NADH:quinone oxidoreductase Ndh | IC50 | = | 470.0 | nM | 6.33 | Inhibition of Mycobacterium smegmatis MC2 155 recombinant type II NADH dehydroge... | 36473699 |
| Type II NADH:quinone oxidoreductase NdhA | IC50 | = | 980.0 | nM | 6.01 | Inhibition of Mycobacterium smegmatis MC2 155 recombinant ndhA assessed as rate ... | 36473699 |
| Mycobacterium tuberculosis | IC50 | = | 8200.0 | nM | 5.09 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv infected in ... | 36473699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Mycobacterium tuberculosis | 5 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | No relevant target | 2 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Type II NADH:quinone oxidoreductase Ndh | 2 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Mycobacterium marinum | 2 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Mycobacteroides abscessus | 2 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Escherichia coli | 2 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Type II NADH:quinone oxidoreductase NdhA | 1 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Mycobacterium avium | 1 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Mycolicibacterium smegmatis | 1 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Bacillus subtilis | 1 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Staphylococcus aureus | 1 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Pseudomonas aeruginosa | 1 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Klebsiella pneumoniae | 1 |
| 36473699 | 10.1021/acs.jmedchem.2c01493 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine