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Compound Detail

CHEMBL3885493

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Clc1c(OCc2cccc3ccncc23)ccn2c(CC3CC3)nnc12

Basic Information

ChEMBL ID CHEMBL3885493
Phase Preclinical
Structure Type MOL
InChI Key FOLMXBPXGPARDX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.8
MW (Da)
4.46
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClN4O
MW 364.84
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.09

Activity Summary

EC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
EC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27914948 10.1016/j.bmc.2016.11.018 ADMET 5
27914948 10.1016/j.bmc.2016.11.018 Metabotropic glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine