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Compound Detail

CHEMBL3962920

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C=C1C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]2C[C@@H]1CC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3962920
Phase Preclinical
Structure Type MOL
InChI Key RHFPOIFDOFJBTB-DIZUZXFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.5
MW (Da)
4.13
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.68
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 C20H30O2
MW 302.46
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 3.35

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