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Compound Detail

CHEMBL5574467

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Cc1nc(Cl)cc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5574467
Phase Preclinical
Structure Type MOL
InChI Key PKKRWMVMWIPWND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.3
MW (Da)
4.43
ALogP
7
HBA
3
HBD
105.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14Cl2N6OS
MW 409.30
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.04

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