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Compound Detail

CHEMBL5196232

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CC1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5196232
Phase Preclinical
Structure Type MOL
InChI Key YPNLGSYRERRWRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
4.65
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2OS
MW 330.84
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.28

Literature References

PubMed DOI Target Context # Activities
35476936 10.1021/acs.jmedchem.2c00004 143B 1

Data from ChEMBL 36 via Core Engine