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Compound Detail

CHEMBL5579710

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CCc1ccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5579710
Phase Preclinical
Structure Type MOL
InChI Key NTMZYCYXQQWEFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.9
MW (Da)
5.25
ALogP
5
HBA
3
HBD
80.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClN4OS
MW 386.91
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.94

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