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Compound Detail

CHEMBL605955

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c1ncc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)cn1

Basic Information

ChEMBL ID CHEMBL605955
Phase Preclinical
Structure Type MOL
InChI Key UHVCBLPINYVBIX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
1.96
ALogP
7
HBA
0
HBD
71.2
PSA (Ų)
0.71
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 C17H18N6O
MW 322.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.93

Activity Summary

Ki 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL4980
Ki 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20043678 10.1021/jm9015075 Neuronal acetylcholine receptor subunit alpha-7 1
20043678 10.1021/jm9015075 5-hydroxytryptamine receptor 3A 1
20043678 10.1021/jm9015075 Unchecked 1

Data from ChEMBL 36 via Core Engine