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Compound Detail

CHEMBL111177

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CCCN1Cc2cccc3c2n(c(=O)n3CC#N)CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111177
Phase Preclinical
Structure Type MOL
InChI Key FAOJYYOIQSZWMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
1.94
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N4O
MW 284.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
1956037 10.1021/jm00115a007 MT4 1

Data from ChEMBL 36 via Core Engine