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Compound Detail

CHEMBL1703076

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O=[N+]([O-])c1cccc(C=NNc2ccc3ccccc3n2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1703076
Phase Preclinical
Structure Type MOL
InChI Key RLGCDBYMJUKHRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.29
ALogP
6
HBA
2
HBD
100.7
PSA (Ų)
0.44
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 C16H12N4O3
MW 308.30
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.57

Data from ChEMBL 36 via Core Engine