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Compound Detail

CHEMBL1923277

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Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923277
Phase Preclinical
Structure Type MOL
InChI Key BIZKTJBXZBTWJR-XNTDXEJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
3.98
ALogP
6
HBA
1
HBD
122.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O5
MW 377.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
22036213 10.1016/j.bmc.2011.09.057 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine