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Compound Detail

CHEMBL226153

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CC1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)CC(=O)[C@]3(CC[C@@H]12)[C@H]4O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226153
Phase Preclinical
Structure Type MOL
InChI Key IUKFVISFCOAYHE-XVPBKVKESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.5
MW (Da)
4.35
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32O2
MW 304.47
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.92

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17547457 10.1021/np0603976 Aorta 1
17547457 10.1021/np0603976 HeLa 1

Data from ChEMBL 36 via Core Engine