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Compound Detail

CHEMBL1379195

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CNc1ccc(N=Nc2cc[n+]([O-])cc2C)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1379195
Phase Preclinical
Structure Type MOL
InChI Key BVJQSCJFZZKOAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.39
ALogP
4
HBA
1
HBD
63.7
PSA (Ų)
0.52
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 C14H16N4O
MW 256.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine