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Compound Detail

CHEMBL5076439

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

Basic Information

ChEMBL ID CHEMBL5076439
Phase Preclinical
Structure Type MOL
InChI Key DFHYWAJTYSFDPZ-SOFGYWHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.2
MW (Da)
4.19
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.28
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 C14H15Cl2NO2
MW 300.19
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
35450355 10.1021/acsmedchemlett.2c00028 Botulinum neurotoxin type A 2

Data from ChEMBL 36 via Core Engine