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Compound Detail

CHEMBL4089155

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C[n+]1c(/C=C/c2cccnc2)ccc2ccccc21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4089155
Phase Preclinical
Structure Type MOL
InChI Key HEVRCYHCDNMHMI-UHFFFAOYSA-M
Parent Compound CHEMBL4117499
Active Moiety CHEMBL4117499
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
3.23
ALogP
1
HBA
0
HBD
16.8
PSA (Ų)
0.64
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 C17H15IN2
MW 374.23
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
28242549 10.1016/j.ejmech.2017.02.042 No relevant target 2
28242549 10.1016/j.ejmech.2017.02.042 Acetylcholinesterase 2
28242549 10.1016/j.ejmech.2017.02.042 Cholinesterase 2
28242549 10.1016/j.ejmech.2017.02.042 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine