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Compound Detail

CHEMBL4565157

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N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccc[n+]([O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4565157
Phase Preclinical
Structure Type MOL
InChI Key VFUCONMJKGLNFQ-NYYWCZLTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

299.2
MW (Da)
1.70
ALogP
6
HBA
2
HBD
134.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9N3O5
MW 299.24
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine