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Compound Detail

CHEMBL68739

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Clc1ccc(/C(=C/n2cncn2)OC2CCCCCCC2)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL68739
Phase Preclinical
Structure Type MOL
InChI Key BEPANIVQPGBOQX-WQRHYEAKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
5.67
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21Cl2N3O
MW 366.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 5.92 5.92 1210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10465539 10.1016/s0960-894x(99)00346-7 Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine