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Compound Detail

CHEMBL3973883

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CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CO)[C@@H](CC[C@H]12)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3973883
Phase Preclinical
Structure Type MOL
InChI Key LHTFWLIJEYMGTO-HKVXWICKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.5
MW (Da)
4.21
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.79
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 C20H32O2
MW 304.47
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 3.43

Literature References

PubMed DOI Target Context # Activities
27913179 10.1016/j.bmcl.2016.11.063 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine