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Compound Detail

CHEMBL4781165

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CC(=O)NCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4781165
Phase Preclinical
Structure Type MOL
InChI Key JYMYDNNFBUEVFU-GQCTYLIASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.2
MW (Da)
2.75
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16Cl2N2O3
MW 331.20
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
34223161 10.1039/d1md00089f Botulinum neurotoxin type A 1
34223161 10.1039/d1md00089f HEK293 1

Data from ChEMBL 36 via Core Engine