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Compound Detail

CHEMBL432648

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[O-][n+]1cc(I)cc2nc(O)c(O)nc21

Basic Information

ChEMBL ID CHEMBL432648
Phase Preclinical
Structure Type MOL
InChI Key GYLZMIIEQMPGHI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.0
MW (Da)
0.28
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H4IN3O3
MW 305.03
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.53

Activity Summary

Ki 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 6.13 6.13 741.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 1 Ki = 741.31 nM 6.13 In vitro binding affinity for glycine site on the NMDA receptor. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00492-1 Glutamate receptor ionotropic, NMDA 1 1
- 10.1016/S0960-894X(96)00492-1 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine