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Compound Detail

CHEMBL2032268

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O=C(/C=C/c1ccc(N2CCNCC2)cc1Cl)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2032268
Phase Preclinical
Structure Type MOL
InChI Key CYPAJHONRSWYKF-DUXPYHPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.7
MW (Da)
1.27
ALogP
4
HBA
3
HBD
64.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16ClN3O2
MW 281.74
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
22542019 10.1016/j.bmcl.2012.04.019 Botulinum neurotoxin type A 1

Data from ChEMBL 36 via Core Engine