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Compound Detail

CHEMBL4302469

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COc1ccncc1C#CCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302469
Phase Preclinical
Structure Type MOL
InChI Key QJAJRKRDHMFFFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
0.40
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N2O
MW 162.19
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine