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Compound Detail

CHEMBL5571340

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Nc1nc(Nc2ccc(F)c(Cl)c2)sc1C(=O)Nc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571340
Phase Preclinical
Structure Type MOL
InChI Key XUMXBRFIGRVGQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.3
MW (Da)
5.17
ALogP
5
HBA
3
HBD
80.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11Cl2FN4OS
MW 397.26
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.41

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