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Compound Detail

CHEMBL4531837

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COC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]12CC=C(C)[C@@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531837
Phase Preclinical
Structure Type MOL
InChI Key UOWPRQGHXKLWDQ-FQLMCAECSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.4
MW (Da)
2.93
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H26O3
MW 266.38
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 2.40

Literature References

PubMed DOI Target Context # Activities
31294974 10.1021/acs.jmedchem.9b00187 11-beta-hydroxysteroid dehydrogenase 1 2
31294974 10.1021/acs.jmedchem.9b00187 3T3-L1 1
31294974 10.1021/acs.jmedchem.9b00187 11-beta-hydroxysteroid dehydrogenase type 2 1

Data from ChEMBL 36 via Core Engine