Compound Detail
CHEMBL133297
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CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]([C@@H](O)CCCCC(CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)NCCc2ccc(OC)c(OCc3ccccc3)c2)O1
Basic Information
| ChEMBL ID | CHEMBL133297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGWXNUOTWPFOAC-AOZCBDOCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
836.2
MW (Da)
10.49
ALogP
9
HBA
4
HBD
126.7
PSA (Ų)
0.04
QED
2
Ro5 Violations
34
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14592516 | 10.1016/j.bmcl.2003.08.045 | Mitochondrial complex I; NADH oxidoreductase | 1 |
| 14592516 | 10.1016/j.bmcl.2003.08.045 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine