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Compound Detail

CHEMBL1765935

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C=C(c1ccc(OC)cc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765935
Phase Preclinical
Structure Type MOL
InChI Key SVXCFLLNCJPJSO-UHSQPCAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.6
MW (Da)
8.32
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36O
MW 400.61
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.65

Literature References

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

Data from ChEMBL 36 via Core Engine