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Compound Detail

CHEMBL61296

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COC(=O)[C@H]1C[C@@H](C(=O)O)Nc2cc(Cl)cc(I)c21

Basic Information

ChEMBL ID CHEMBL61296
Phase Preclinical
Structure Type MOL
InChI Key FBBUJQUXLXQMFM-RCOVLWMOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.6
MW (Da)
2.47
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.59
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 C12H11ClINO4
MW 395.58
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.13

Activity Summary

IC50 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.38 5.38 4180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 4180.0 nM 5.38 Concentration required to inhibit 50% of the specific binding of [3H]glycine to ... 1534583

Literature References

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

Data from ChEMBL 36 via Core Engine