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Compound Detail

CHEMBL199265

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N#C/C(=C\c1ccccc1Cl)C(=O)NCCNC(=O)/C(C#N)=C/c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199265
Phase Preclinical
Structure Type MOL
InChI Key WEKVLUNWXNNPTB-JYFOCSDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.3
MW (Da)
3.74
ALogP
4
HBA
2
HBD
105.8
PSA (Ų)
0.39
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 C22H16Cl2N4O2
MW 439.30
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.89

Literature References

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

Data from ChEMBL 36 via Core Engine