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Compound Detail

CHEMBL1765951

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C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2CCCO

Basic Information

ChEMBL ID CHEMBL1765951
Phase Preclinical
Structure Type MOL
InChI Key MAPPOYXUJWOQBV-NOZRDPDXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.6
MW (Da)
6.93
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36O
MW 352.56
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.05

Activity Summary

EC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 5 group A member 2
CHEMBL3544
EC50 6.1 6.1 794.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21391689 10.1021/jm1014296 Nuclear receptor subfamily 5 group A member 2 7
21391689 10.1021/jm1014296 Steroidogenic factor 1 3

Data from ChEMBL 36 via Core Engine