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Compound Detail

CHEMBL3926810

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

Basic Information

ChEMBL ID CHEMBL3926810
Phase Preclinical
Structure Type MOL
InChI Key MGZCTUDLVVCKCA-YDEBIOCVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.5
MW (Da)
3.11
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.69
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 C20H34O3
MW 322.49
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 3.33

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