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Compound Detail

CHEMBL1210576

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O=C(Cc1nc(C2CCCCC2)c2ccccc2n1)NC1Cc2ccccc2C1

Basic Information

ChEMBL ID CHEMBL1210576
Phase Preclinical
Structure Type MOL
InChI Key BIJRBDMTLHMRAS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.50
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.72
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 C25H27N3O
MW 385.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.87

Activity Summary

EC50 1 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
EC50 8.2 8.2 6.3 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