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Compound Detail

CHEMBL1210641

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O=C(Cn1nc(-c2ccc(Cl)cc2)c2cc(F)ccc2c1=O)NC1Cc2ccccc2C1

Basic Information

ChEMBL ID CHEMBL1210641
Phase Preclinical
Structure Type MOL
InChI Key ODIAEUFWQRVYDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.9
MW (Da)
4.14
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19ClFN3O2
MW 447.90
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.72

Activity Summary

EC50 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
EC50 7.6 7.6 25.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20591663 10.1016/j.bmcl.2010.06.014 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine