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Compound Detail

CHEMBL2037371

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Cc1ccc(C2=CC(=O)N(Cc3ccccc3)C2=O)cc1

Basic Information

ChEMBL ID CHEMBL2037371
Phase Preclinical
Structure Type MOL
InChI Key PLQCDKKQKRJJDK-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
2.95
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.81
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 C18H15NO2
MW 277.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.36

Activity Summary

IC50 3 meas. best 4.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Regulator of G-protein signaling 4
CHEMBL1795091
IC50 4.03 4.03 93000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22368763 10.1021/ml200263y Regulator of G-protein signaling 4 1
22368763 10.1021/ml200263y Regulator of G-protein signaling 8 1
22368763 10.1021/ml200263y Unchecked 1

Data from ChEMBL 36 via Core Engine