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Compound Detail

CHEMBL4300725

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N=C(N)c1ccc(-c2nc(-c3ccccc3)co2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300725
Phase Preclinical
Structure Type MOL
InChI Key IRTBRBGKPFJCLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
3.29
ALogP
3
HBA
2
HBD
75.9
PSA (Ų)
0.56
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 C16H13N3O
MW 263.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine