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Compound Detail

CHEMBL3950722

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N#Cc1ncc(-c2ccccc2)nc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3950722
Phase Preclinical
Structure Type MOL
InChI Key KSVMJUBGOLBDJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.89
ALogP
4
HBA
0
HBD
73.4
PSA (Ų)
0.71
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 C12H6N4
MW 206.21
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine