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Compound Detail

CHEMBL198885

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CCCCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198885
Phase Preclinical
Structure Type MOL
InChI Key FYWIGGBGKBXJHW-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
3.00
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.46
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 C16H20N2O2
MW 272.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.35

Literature References

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

Data from ChEMBL 36 via Core Engine