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Compound Detail

CHEMBL4159725

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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4159725
Phase Preclinical
Structure Type MOL
InChI Key URJXGGPELKALMS-HLYSYWIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

456.7
MW (Da)
7.38
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H48O3
MW 456.71
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.70

Literature References

PubMed DOI Target Context # Activities
33131725 10.1016/j.ejmech.2020.112932 AMP-activated protein kinase, AMPK 9
28802120 10.1016/j.ejmech.2017.08.012 Cholesteryl ester transfer protein 2
33131725 10.1016/j.ejmech.2020.112932 THP-1 1

Data from ChEMBL 36 via Core Engine