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Compound Detail

CHEMBL3787650

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O=C(N[C@H]1CN2CCC1CC2)c1cc2c(F)cccn2c1

Basic Information

ChEMBL ID CHEMBL3787650
Phase Preclinical
Structure Type MOL
InChI Key BSKZQLHDSAJTBW-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
1.90
ALogP
3
HBA
1
HBD
36.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18FN3O
MW 287.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.23

Activity Summary

EC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
EC50 5.55 5.55 2830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26994846 10.1016/j.ejmech.2016.03.016 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine