Compound Detail
CHEMBL396297
CIS-SOLAMIN Enter ChEMBL ID:
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CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1
Basic Information
| ChEMBL ID | CHEMBL396297 |
| Name | CIS-SOLAMIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBSBTRALZZSVBA-DIPXFSDISA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
564.9
MW (Da)
9.12
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 1 CHEMBL4497 | IC50 | 8.68 | 8.67 | 2.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 1 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart sub... | - |
| NADH-ubiquinone oxidoreductase chain 1 | IC50 | = | 2.2 | nM | 8.66 | Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart sub... | - |
| Unchecked | IC50 | = | 2.6 | nM | 8.59 | Inhibition of NADH-ubiquinone oxidoreductase activity in bovine heart submitocho... | 17321744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.tet.2004.09.011 | NADH-ubiquinone oxidoreductase chain 1 | 2 |
| 17321744 | 10.1016/j.bmc.2007.02.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine