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Compound Detail

CHEMBL4301767

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CCCc1ccncc1-c1ccc(CN)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301767
Phase Preclinical
Structure Type MOL
InChI Key KRLAVZKZJIVVOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

216.3
MW (Da)
2.75
ALogP
3
HBA
1
HBD
52.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O
MW 216.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine