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Compound Detail

CHEMBL5575903

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COc1ccccc1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5575903
Phase Preclinical
Structure Type MOL
InChI Key NNBQKPDBESLEBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.9
MW (Da)
5.25
ALogP
5
HBA
2
HBD
63.2
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClFN3O2S
MW 391.86
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.56

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