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Compound Detail

CHEMBL406268

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COc1ccc(-c2cc[n+](C)cc2)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406268
Phase Preclinical
Structure Type MOL
InChI Key XCSJNIUVNDYGJE-UHFFFAOYSA-M
Parent Compound CHEMBL1185304
Active Moiety CHEMBL1185304
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
2.19
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.68
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 C13H14INO
MW 327.17
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.15

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18220329 10.1021/jm070875p Synaptic vesicular amine transporter 4

Data from ChEMBL 36 via Core Engine