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Compound Detail

CHEMBL5594388

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Cc1cccc(C)c1NC(=O)c1sc(Nc2ccc(S(=O)(=O)c3ccccc3)cc2)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5594388
Phase Preclinical
Structure Type MOL
InChI Key NGSRQASNPKPNQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
5.90
ALogP
6
HBA
2
HBD
88.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O3S2
MW 477.61
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.88

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