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Compound Detail

CHEMBL1099062

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

Basic Information

ChEMBL ID CHEMBL1099062
Phase Preclinical
Structure Type MOL
InChI Key NXPBYMPPPRNGEG-CPLUKWAASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
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

Molecule Type Small molecule
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 3.56

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