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Compound Detail

CHEMBL5202113

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CC1CCc2c(sc(NC(=O)c3ccncn3)c2C#N)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202113
Phase Preclinical
Structure Type MOL
InChI Key NJIQQZHOURRCGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
2.79
ALogP
5
HBA
1
HBD
78.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4OS
MW 298.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.30

Literature References

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

Data from ChEMBL 36 via Core Engine