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Compound Detail

CHEMBL496007

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C=C(C)C(O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496007
Phase Preclinical
Structure Type MOL
InChI Key TXRLVQNUVQVFJG-KJOMNYIYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

440.7
MW (Da)
7.35
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H48O2
MW 440.71
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.40

Literature References

PubMed DOI Target Context # Activities
19447618 10.1016/j.bmcl.2009.04.129 RAW264.7 2
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