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Compound Detail

CHEMBL198683

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

Basic Information

ChEMBL ID CHEMBL198683
Phase Preclinical
Structure Type MOL
InChI Key ZYFCBNRMJSUWQQ-DTQAZKPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.36
ALogP
3
HBA
1
HBD
56.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N3O
MW 299.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.94

Literature References

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

Data from ChEMBL 36 via Core Engine