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Compound Detail

CHEMBL199010

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COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(O)c(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199010
Phase Preclinical
Structure Type MOL
InChI Key XDINPVMGJQKXBI-RIYZIHGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
2.33
ALogP
5
HBA
3
HBD
102.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O4
MW 324.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
16302817 10.1021/jm040208l Dynamin-1 1

Data from ChEMBL 36 via Core Engine