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Compound Detail

CHEMBL1164351

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Cc1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1

Basic Information

ChEMBL ID CHEMBL1164351
Phase Preclinical
Structure Type MOL
InChI Key CLRQNOPETUIJPW-ZHACJKMWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
4.27
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.69
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 C18H14O2
MW 262.31
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 0.15

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.62 4.62 23700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 23700.0 nM 4.62 Antiviral activity against MNV1 CW1 infected in mouse RAW264.7 cells assessed as... 20554208

Literature References

PubMed DOI Target Context # Activities
20554208 10.1016/j.bmc.2010.05.006 RAW264.7 3
20554208 10.1016/j.bmc.2010.05.006 NON-PROTEIN TARGET 1
20554208 10.1016/j.bmc.2010.05.006 Unchecked 1
20554208 10.1016/j.bmc.2010.05.006 rhinovirus A1B 1
20554208 10.1016/j.bmc.2010.05.006 rhinovirus B14 1

Data from ChEMBL 36 via Core Engine