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Compound Detail

CHEMBL261822

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C[n+]1cccc(-c2ccc(O)cc2)c1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261822
Phase Preclinical
Structure Type MOL
InChI Key SRNGXPOSWGGJIA-UHFFFAOYSA-N
Parent Compound CHEMBL1182702
Active Moiety CHEMBL1182702
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

186.2
MW (Da)
1.88
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12INO
MW 313.14
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness 0.42

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18220329 10.1021/jm070875p Synaptic vesicular amine transporter 2

Data from ChEMBL 36 via Core Engine