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Compound Detail

CHEMBL277073

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N[C@H](Cc1cc(I)c(OCCc2cccc(O)c2)c(I)c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL277073
Phase Preclinical
Structure Type MOL
InChI Key NXOGUYHNNWMVAX-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

553.1
MW (Da)
3.18
ALogP
4
HBA
3
HBD
92.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17I2NO4
MW 553.13
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.51

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 350.0 nM 6.46 Ability to displace [3H]L-689560 from NMDA receptor glycine site in rat brain me... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00187-4 Glutamate NMDA receptor 1
- 10.1016/0960-894X(96)00187-4 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine