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Compound Detail

CHEMBL198889

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COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198889
Phase Preclinical
Structure Type MOL
InChI Key NYUYNCXATPNCTF-MHWRWJLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.62
ALogP
4
HBA
2
HBD
99.4
PSA (Ų)
0.62
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 C19H16N2O4
MW 336.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.82

Literature References

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

Data from ChEMBL 36 via Core Engine