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Compound Detail

CHEMBL15274

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N[C@H](Cc1ccc(OCCc2ccccc2)c(I)c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL15274
Phase Preclinical
Structure Type MOL
InChI Key ANRRMPXVQYKKHP-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.2
MW (Da)
2.87
ALogP
3
HBA
2
HBD
72.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18INO3
MW 411.24
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.11

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.14 5.14 7300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 7300.0 nM 5.14 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

Data from ChEMBL 36 via Core Engine