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Compound Detail

CHEMBL1765965

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C=C(c1ccccc1)[C@@]12C[C@@H](OC(C)=O)C[C@@H]1CC(CCCCCC)=C2c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765965
Phase Preclinical
Structure Type MOL
InChI Key QULCFEHAJUKZHR-XEVVZDEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
7.86
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.30
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 C30H36O2
MW 428.62
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.92

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