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Compound Detail

CHEMBL2206437

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Fc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1

Basic Information

ChEMBL ID CHEMBL2206437
Phase Preclinical
Structure Type MOL
InChI Key VEYCZBOQOUBOIW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.9
MW (Da)
5.00
ALogP
4
HBA
0
HBD
33.4
PSA (Ų)
0.62
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 C21H21ClF2N4
MW 402.88
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.46

Activity Summary

EC50 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
EC50 7.21 7.21 61.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22992024 10.1021/jm300912k Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine