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Compound Detail

CHEMBL497823

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CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497823
Phase Preclinical
Structure Type MOL
InChI Key WSPRAEIJBDUDRX-FBJXRMALSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

426.7
MW (Da)
8.34
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H50O
MW 426.73
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 3.55

Literature References

PubMed DOI Target Context # Activities
19447618 10.1016/j.bmcl.2009.04.129 RAW264.7 1
19447618 10.1016/j.bmcl.2009.04.129 SK-MEL-1 1
19447618 10.1016/j.bmcl.2009.04.129 MCF7 1
19447618 10.1016/j.bmcl.2009.04.129 HeLa 1

Data from ChEMBL 36 via Core Engine