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Compound Detail

CHEMBL15308

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N[C@H](Cc1cc(I)c(OCCc2ccncc2)c(I)c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL15308
Phase Preclinical
Structure Type MOL
InChI Key SGDFYBCKEVITCD-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

538.1
MW (Da)
2.87
ALogP
4
HBA
2
HBD
85.4
PSA (Ų)
0.53
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 C16H16I2N2O3
MW 538.12
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.16

Activity Summary

IC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.34 6.34 460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 460.0 nM 6.34 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