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Compound Detail

CHEMBL341813

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O=C(O)CN(C(=O)c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12

Basic Information

ChEMBL ID CHEMBL341813
Phase Preclinical
Structure Type MOL
InChI Key JTSBJUUGXLSFDP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.2
MW (Da)
3.90
ALogP
3
HBA
3
HBD
110.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12Cl2N2O5
MW 407.21
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81105-7 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine