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Compound Detail

CHEMBL217073

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O=C(O)COn1c(=O)[nH]c2cc(Cl)ccc2c1=O

Basic Information

ChEMBL ID CHEMBL217073
Phase Preclinical
Structure Type MOL
InChI Key WGSPCVAECQQJAO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

270.6
MW (Da)
-0.14
ALogP
5
HBA
2
HBD
101.4
PSA (Ų)
0.81
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 C10H7ClN2O5
MW 270.63
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.84

Activity Summary

Ki 2 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 4.05 4.05 90000.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 4.0 4.0 99000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17004715 10.1021/jm0604880 Glutamate receptor ionotropic, AMPA 1
17004715 10.1021/jm0604880 Glutamate NMDA receptor 1
17004715 10.1021/jm0604880 Unchecked 1

Data from ChEMBL 36 via Core Engine