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Compound Detail

CHEMBL2269127

(10S)-COROSSOLINE
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CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCC[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)O1

Basic Information

ChEMBL ID CHEMBL2269127
Name (10S)-COROSSOLINE
Phase Preclinical
Structure Type MOL
InChI Key GBNCDYGXXWZSAO-KTJZJERCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

580.9
MW (Da)
8.09
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.07
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C35H64O6
MW 580.89
Aromatic Rings 0
Heavy Atoms 41
NP-Likeness 1.75

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NADH-ubiquinone oxidoreductase chain 1
CHEMBL4497
IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.tet.2004.09.011 NADH-ubiquinone oxidoreductase chain 1 1

Data from ChEMBL 36 via Core Engine