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Compound Detail

CHEMBL23953

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O=Cc1c(C(=O)O)[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL23953
Phase Preclinical
Structure Type MOL
InChI Key PRFDLSPESODVAW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
1.68
ALogP
2
HBA
2
HBD
70.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H7NO3
MW 189.17
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness 0.15

Activity Summary

Ki 1 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 4.95 4.95 11200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1849994 10.1021/jm00108a007 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine