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Compound Detail

CHEMBL1933866

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N#C/C(=C\c1cccc(I)c1)c1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933866
Phase Preclinical
Structure Type MOL
InChI Key JJWBHYNUOBAVDQ-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.2
MW (Da)
4.23
ALogP
2
HBA
1
HBD
52.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10IN3
MW 371.18
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
22082667 10.1016/j.bmc.2011.10.062 Botulinum neurotoxin type A 1
22082667 10.1016/j.bmc.2011.10.062 Lethal factor 1

Data from ChEMBL 36 via Core Engine