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Compound Detail

CHEMBL4100164

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O=C1CCC[C@H]([C@H]2C[C@@H]2c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4100164
Phase Preclinical
Structure Type MOL
InChI Key HCUZSUWEMNNKAZ-FRRDWIJNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

216.3
MW (Da)
2.89
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16O2
MW 216.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.26

Literature References

PubMed DOI Target Context # Activities
28214230 10.1016/j.bmc.2017.02.004 A549 1
28214230 10.1016/j.bmc.2017.02.004 MCF7 1
28214230 10.1016/j.bmc.2017.02.004 HBL-100 1
28214230 10.1016/j.bmc.2017.02.004 Saccharomyces cerevisiae 1

Data from ChEMBL 36 via Core Engine