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Compound Detail

CHEMBL43307

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O=C(O)c1[nH]c2cc(Cl)ccc2c1CO

Basic Information

ChEMBL ID CHEMBL43307
Phase Preclinical
Structure Type MOL
InChI Key IEHZBYZQBUCXKR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

225.6
MW (Da)
2.01
ALogP
2
HBA
3
HBD
73.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8ClNO3
MW 225.63
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 5.05 5.05 9000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80444-8 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine