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Compound Detail

CHEMBL50154

IODOAZIDOCLEBOPRIDE
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COc1cc(N=[N+]=[N-])c(I)cc1C(=O)NC1CCN(Cc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL50154
Name IODOAZIDOCLEBOPRIDE
Phase Preclinical
Structure Type MOL
InChI Key UFNGQEVXMTYIHB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.3
MW (Da)
4.64
ALogP
4
HBA
1
HBD
90.3
PSA (Ų)
0.28
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 C20H22IN5O2
MW 491.33
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.16

Activity Summary

Kd 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
Kd 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3156993 10.1021/jm00382a002 Rattus norvegicus 14
2136916 10.1021/jm00163a029 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine