Compound Detail
CHEMBL245073
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CCCCCCCCCCCCCCCC[C@H](O)[C@@H](O)CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O
Basic Information
| ChEMBL ID | CHEMBL245073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MECGDTAEMVIQNQ-QBDOPFNQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
579.0
MW (Da)
10.91
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
31
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 580.0 | nM | 6.24 | Inhibition of NADH-ubiquinone oxidoreductase activity in bovine heart submitocho... | 17321744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17321744 | 10.1016/j.bmc.2007.02.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine