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Compound Detail

CHEMBL1164352

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COc1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164352
Phase Preclinical
Structure Type MOL
InChI Key SNRMIADKIKDZCS-DHZHZOJOSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
3.97
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.73
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 C18H14O3
MW 278.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.26

Activity Summary

IC50 4 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.16 4.9225 6900.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 6900.0 nM 5.16 Antiviral activity against MNV1 CW1 infected in mouse RAW264.7 cells assessed as... 20554208
NON-PROTEIN TARGET IC50 = 7400.0 nM 5.13 Antiviral activity against MNV1 CW1 infected in mouse RAW264.7 cells assessed as... 20554208
NON-PROTEIN TARGET IC50 = 8400.0 nM 5.08 Antiviral activity against MNV1 CW1 infected in mouse RAW264.7 cells assessed as... 20554208
NON-PROTEIN TARGET IC50 = 47700.0 nM 4.32 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 NON-PROTEIN TARGET 6
20554208 10.1016/j.bmc.2010.05.006 RAW264.7 4
- 10.1007/s00044-012-0232-6 NON-PROTEIN TARGET 2
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
- 10.1007/s00044-012-0232-6 OVCAR 1
- 10.1007/s00044-012-0232-6 HeLa 1
- 10.1007/s00044-012-0232-6 AGS 1

Data from ChEMBL 36 via Core Engine