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Compound Detail

CHEMBL4852719

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CSc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4852719
Phase Preclinical
Structure Type MOL
InChI Key NQZKTQXRLKGQSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.9
MW (Da)
6.04
ALogP
7
HBA
1
HBD
59.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12ClF3N4OS2
MW 444.89
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
34374537 10.1021/acs.jmedchem.1c01058 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine