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Compound Detail

CHEMBL4075489

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O=C(/C=C/C1=Cc2ccccc2OC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075489
Phase Preclinical
Structure Type MOL
InChI Key SSPAHETVRSBOHU-ZHACJKMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
3.90
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14O2
MW 262.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
28242170 10.1016/j.bmc.2017.02.012 HeLa 2
28242170 10.1016/j.bmc.2017.02.012 rhinovirus A1B 1
28242170 10.1016/j.bmc.2017.02.012 rhinovirus B14 1

Data from ChEMBL 36 via Core Engine