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Compound Detail

CHEMBL4074737

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CCOCC[C@]12CCC3=C(COC3=O)[C@@H]1CCc1c2ccc(C(C)C)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4074737
Phase Preclinical
Structure Type MOL
InChI Key CSIGYQXPAAQBCC-URXFXBBRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
4.69
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32O4
MW 384.52
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.50

Literature References

PubMed DOI Target Context # Activities
28011223 10.1016/j.bmcl.2016.12.032 SK-OV-3 1
28011223 10.1016/j.bmcl.2016.12.032 PC-3 1
28011223 10.1016/j.bmcl.2016.12.032 A549 1

Data from ChEMBL 36 via Core Engine