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Compound Detail

CHEMBL435473

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CC(C)(C)OC(=O)/C=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12.[Na+]

Basic Information

ChEMBL ID CHEMBL435473
Phase Preclinical
Structure Type MOL
InChI Key HPSWRDLKZQCCMD-FXRZFVDSSA-M
Parent Compound CHEMBL1207742
Active Moiety CHEMBL1207742
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.2
MW (Da)
4.53
ALogP
3
HBA
2
HBD
79.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14Cl2NNaO4
MW 378.19
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.22

Activity Summary

Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 6.3 6.3 501.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9083472 10.1021/jm960644a Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine