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Compound Detail

CHEMBL1923276

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COc1cccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923276
Phase Preclinical
Structure Type MOL
InChI Key MUCLCOCPLDYQJP-SFQUDFHCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
4.09
ALogP
6
HBA
1
HBD
118.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N3O5
MW 403.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.54

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