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Compound Detail

CHEMBL1097036

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C=C[C@]1(C)C=C2CC[C@H]3[C@H](C)C(=O)CC[C@]3(C)[C@H]2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1097036
Phase Preclinical
Structure Type MOL
InChI Key WZCVRIGYJGAPNC-KWFCSAJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
4.93
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.62
QED
0
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 C19H28O
MW 272.43
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 3.39

Literature References

PubMed DOI Target Context # Activities
20402524 10.1021/np900814s HepG2 1
20402524 10.1021/np900814s HL-60 1
20402524 10.1021/np900814s Jurkat 1
20402524 10.1021/np900814s U-937 1

Data from ChEMBL 36 via Core Engine