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Compound Detail

CHEMBL1923273

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CCC(NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923273
Phase Preclinical
Structure Type MOL
InChI Key QQBHHFCNEDEFSS-NBVRZTHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
5.03
ALogP
5
HBA
1
HBD
109.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3O4
MW 401.42
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.49

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