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Compound Detail

CHEMBL5584156

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C=C[C@]1(C)C=C2C(=O)CC3C(C)(C)CCC[C@]3(C)C2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5584156
Phase Preclinical
Structure Type MOL
InChI Key IOLISJPAURJPID-FCUIKFHKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

286.5
MW (Da)
5.32
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.60
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H30O
MW 286.46
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 3.28

Literature References

PubMed DOI Target Context # Activities
38970504 10.1021/acs.jnatprod.4c00313 A549 1
38970504 10.1021/acs.jnatprod.4c00313 MDA-MB-231 1
38970504 10.1021/acs.jnatprod.4c00313 MCF7 1
38970504 10.1021/acs.jnatprod.4c00313 KB 1
38970504 10.1021/acs.jnatprod.4c00313 Unchecked 1

Data from ChEMBL 36 via Core Engine