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Compound Detail

CHEMBL165733

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CC1=NCC(=O)Nc2c1cc(C)c(C)c2C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165733
Phase Preclinical
Structure Type MOL
InChI Key FAWOZXPINRAIGS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
1.94
ALogP
3
HBA
1
HBD
65.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O
MW 227.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
6330354 10.1021/jm00372a012 Mus musculus 6

Data from ChEMBL 36 via Core Engine