Compound Detail
CHEMBL157184
DIHYDROXY-COHIBIN A Enter ChEMBL ID:
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CCCCCCCCCCCC[C@H](O)[C@@H](O)CC[C@@H](O)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
Basic Information
| ChEMBL ID | CHEMBL157184 |
| Name | DIHYDROXY-COHIBIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUHQFTLILYDSEV-DIPXFSDISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
582.9
MW (Da)
8.07
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.05
QED
2
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Bos taurus CHEMBL613489 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bos taurus | IC50 | = | 20.0 | nM | 7.7 | Inhibition concentration was evaluated in NADH oxidase assay using bovine heart ... | 14741257 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of NADH-ubiquinone oxidoreductase activity in bovine heart submitocho... | 17321744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741257 | 10.1016/j.bmcl.2003.11.057 | Bos taurus | 1 |
| 17321744 | 10.1016/j.bmc.2007.02.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine