Compound Detail
CHEMBL302867
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C[C@H]1C=C(CCCCCCCCCCCC[C@@H](O)[C@H]2CC[C@H]([C@H]3CC[C@H]([C@@H](C)O)O3)O2)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL302867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEORVEGGKXSUQT-NZSLWZAJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.7
MW (Da)
5.38
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 CHEMBL2503 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 | IC50 | = | 3.1 | nM | 8.51 | Inhibitory activity against bovine heart mitochondrial NADH ubiquinone oxidoredu... | 12127510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127510 | 10.1016/s0960-894x(02)00374-8 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 | 1 |
Data from ChEMBL 36 via Core Engine