Compound Detail
CHEMBL2346914
R-(+)-MARMIN-6'-OCTANOATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2346914 |
| Name | R-(+)-MARMIN-6'-OCTANOATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEGHXNCKKXBSHJ-BKWQBPKISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
5.94
ALogP
6
HBA
1
HBD
86.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial complex I (NADH dehydrogenase) CHEMBL2363065 | IC50 | 5.51 | 5.47 | 3080.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial complex I (NADH dehydrogenase) | IC50 | = | 3080.0 | nM | 5.51 | Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibi... | 23434131 |
| Mitochondrial complex I (NADH dehydrogenase) | IC50 | = | 3710.0 | nM | 5.43 | 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 | 5 |
| 23434131 | 10.1016/j.bmc.2013.01.048 | MDA-MB-231 | 3 |
| 23434131 | 10.1016/j.bmc.2013.01.048 | T47D | 3 |
| 23434131 | 10.1016/j.bmc.2013.01.048 | Mitochondrial complex I (NADH dehydrogenase) | 2 |
Data from ChEMBL 36 via Core Engine