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Compound Detail

CHEMBL429233

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O=C(O)c1cc(O)c2c(Cl)cc(I)cc2n1

Basic Information

ChEMBL ID CHEMBL429233
Phase Preclinical
Structure Type MOL
InChI Key FFDVBVZGPZTVDG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
2.90
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.78
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 C10H5ClINO3
MW 349.51
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.55

Activity Summary

IC50 2 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.19 6.19 650.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 3
1534583 10.1021/jm00089a003 Glutamate NMDA receptor 1
1534583 10.1021/jm00089a003 Glutamate receptors; NMDA/AMPA 1

Data from ChEMBL 36 via Core Engine