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Compound Detail

CHEMBL5573508

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Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccccc2)nc1N

Basic Information

ChEMBL ID CHEMBL5573508
Phase Preclinical
Structure Type MOL
InChI Key WCYQFCAPEGQXKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.9
MW (Da)
4.68
ALogP
5
HBA
3
HBD
80.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN4OS
MW 358.85
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.94

Activity Summary

EC50 1 meas. best 4.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
EC50 4.81 4.81 15500.0 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