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Compound Detail

CHEMBL2380802

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Fc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1

Basic Information

ChEMBL ID CHEMBL2380802
Phase Preclinical
Structure Type MOL
InChI Key LZNSXAAOXCUXIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.16
ALogP
5
HBA
0
HBD
45.4
PSA (Ų)
0.85
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 C15H17FN4O
MW 288.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 7.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
Ki 7.94 7.94 11.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuronal acetylcholine receptor subunit alpha-7 Ki = 11.6 nM 7.94 Binding affinity to alpha7 nAChR (unknown origin) 23507153

Literature References

PubMed DOI Target Context # Activities
23507153 10.1016/j.bmc.2013.02.018 Neuronal acetylcholine receptor subunit alpha-7 1

Data from ChEMBL 36 via Core Engine