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Compound Detail

CHEMBL1923261

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CCC[C@H](NC(=O)/C(C#N)=C/c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923261
Phase Preclinical
Structure Type MOL
InChI Key CIZNLKGXAIWEHK-XOVFHRFOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.8
MW (Da)
4.81
ALogP
4
HBA
1
HBD
96.0
PSA (Ų)
0.32
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 C20H18ClN3O3
MW 383.84
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
22036213 10.1016/j.bmc.2011.09.057 NON-PROTEIN TARGET 2
22036213 10.1016/j.bmc.2011.09.057 U-266 1

Data from ChEMBL 36 via Core Engine