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Compound Detail

CHEMBL307023

IODOSULPIRIDE
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CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(S(N)(=O)=O)c1I

Basic Information

ChEMBL ID CHEMBL307023
Name IODOSULPIRIDE
Phase Preclinical
Structure Type MOL
InChI Key HCKMONAVUWHQOT-JTQLQIEISA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

467.3
MW (Da)
1.16
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22IN3O4S
MW 467.33
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.29

Activity Summary

Kd 1 meas. best 8.82
Ki 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
Kd 8.82 8.82 1.5 1
D(2) dopamine receptor
CHEMBL339
Ki 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2136916 10.1021/jm00163a029 D(2) dopamine receptor 1
8093734 10.1021/jm00054a005 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine