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Compound Detail

CHEMBL3763185

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C=CCc1ccc(C)c(-c2c(CC=C)cccc2C[C@H]2CC(C)(C)[C@]3(C)CC[C@]4(C)C[C@]23CC[C@H]4O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763185
Phase Preclinical
Structure Type MOL
InChI Key GFVWCHDMUDWFEI-FONGAVMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.8
MW (Da)
9.05
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H48O
MW 496.78
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 1.44

Literature References

PubMed DOI Target Context # Activities
26928286 10.1016/j.bmc.2016.01.049 NON-PROTEIN TARGET 4

Data from ChEMBL 36 via Core Engine