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Compound Detail

CHEMBL353570

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COC(=O)COc1c(-c2ccccc2)c(O)nc2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL353570
Phase Preclinical
Structure Type MOL
InChI Key ABVJPTKPDXVKOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.8
MW (Da)
3.81
ALogP
5
HBA
1
HBD
68.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClNO4
MW 343.77
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9057862 10.1021/jm9605492 Glutamate receptor ionotropic, NMDA 1 1
9057862 10.1021/jm9605492 Glutamate NMDA receptor 1
9057862 10.1021/jm9605492 Mus musculus 1

Data from ChEMBL 36 via Core Engine