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Compound Detail

CHEMBL1210640

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O=C(Cn1nc(C2CCC(F)(F)CC2)c2ccccc2c1=O)NCCOc1ccccc1

Basic Information

ChEMBL ID CHEMBL1210640
Phase Preclinical
Structure Type MOL
InChI Key PZPXSMLKEWWRFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.88
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25F2N3O3
MW 441.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.22

Activity Summary

EC50 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
EC50 7.5 7.5 31.6 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