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Compound Detail

CHEMBL5591884

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Cc1ccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)cc1F

Basic Information

ChEMBL ID CHEMBL5591884
Phase Preclinical
Structure Type MOL
InChI Key QXKMTEJNYOXFMK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
5.13
ALogP
5
HBA
3
HBD
80.0
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClFN4OS
MW 390.87
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.32

Activity Summary

EC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
EC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38393821 10.1021/acs.jmedchem.3c02323 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine