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Compound Detail

CHEMBL5567410

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Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5567410
Phase Preclinical
Structure Type MOL
InChI Key SCRGEYOFTAIHGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.8
MW (Da)
5.84
ALogP
5
HBA
3
HBD
80.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClF4N4OS
MW 444.84
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.23

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