Compound Detail
CHEMBL2346912
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Basic Information
| ChEMBL ID | CHEMBL2346912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJKOFXGMGDOURN-JIIJFUIFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.8
MW (Da)
4.28
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial complex I (NADH dehydrogenase) CHEMBL2363065 | IC50 | 4.96 | 4.87 | 11100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial complex I (NADH dehydrogenase) | IC50 | = | 11100.0 | nM | 4.96 | Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibi... | 23434131 |
| Mitochondrial complex I (NADH dehydrogenase) | IC50 | = | 16700.0 | nM | 4.78 | Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibi... | 23434131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23434131 | 10.1016/j.bmc.2013.01.048 | Unchecked | 6 |
| 23434131 | 10.1016/j.bmc.2013.01.048 | Mitochondrial complex I (NADH dehydrogenase) | 2 |
| 23434131 | 10.1016/j.bmc.2013.01.048 | MDA-MB-231 | 1 |
| 23434131 | 10.1016/j.bmc.2013.01.048 | T47D | 1 |
Data from ChEMBL 36 via Core Engine