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Compound Detail

CHEMBL1765939

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

Basic Information

ChEMBL ID CHEMBL1765939
Phase Preclinical
Structure Type MOL
InChI Key DIUZRZDDSPMLPG-PPTMTGTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.7
MW (Da)
9.61
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H42
MW 426.69
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.43

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