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Compound Detail

CHEMBL166426

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O=C(O)CCc1c(C(=O)O)nc2cc(Cl)cc(Cl)c2c1O

Basic Information

ChEMBL ID CHEMBL166426
Phase Preclinical
Structure Type MOL
InChI Key XYIDXIDDFVADKI-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.1
MW (Da)
2.96
ALogP
4
HBA
3
HBD
107.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9Cl2NO5
MW 330.12
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.26

Activity Summary

IC50 1 meas.
Ki 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 5.15 5.15 7040.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80096-7 Glutamate receptor ionotropic, NMDA 1 1
- 10.1016/S0960-894X(00)80096-7 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine