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Compound Detail

CHEMBL401446

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N#Cc1cccc(C2=Nc3ccc(C#Cc4ccccc4)cc3NC(=O)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401446
Phase Preclinical
Structure Type MOL
InChI Key YQYIKKPJWMTPST-UHFFFAOYSA-N
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
4.42
ALogP
3
HBA
1
HBD
65.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15N3O
MW 361.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.89

Activity Summary

IC50 8 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 IC50 7.77 7.545 17.0 8

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 IC50 = 17.0 nM 7.77 Antagonist activity at rat mGluR2 assessed as effect on (1S,3R)-ACPD-induced inh... 18096387
Metabotropic glutamate receptor 2 IC50 = 17.0 nM 7.77 Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated ... 20971004
Metabotropic glutamate receptor 2 IC50 = 34.0 nM 7.47 Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells 17964783
Metabotropic glutamate receptor 2 IC50 = 34.0 nM 7.47 Displacement of [3H]LY354740 from rat mGluR2 18096387
Metabotropic glutamate receptor 2 IC50 = 34.0 nM 7.47 Displacement of [3H]LY354740 from rat recombinant mGluR2 expressed in CHO cells 18096387
Metabotropic glutamate receptor 2 IC50 = 34.0 nM 7.47 Displacement of [3H]LY354740 from rat mGluR2 18374569
Metabotropic glutamate receptor 2 IC50 = 34.0 nM 7.47 Partial displacement of [3H]LY354740 from recombinant rat mGluR2 20971004
Metabotropic glutamate receptor 2 IC50 = 34.0 nM 7.47 Displacement of [3H]LY354740 from recombinant rat mGluR2 expressed in CHO cells 20971004

Literature References

PubMed DOI Target Context # Activities
17964783 10.1016/j.bmcl.2007.10.026 Metabotropic glutamate receptor 2 3
17964783 10.1016/j.bmcl.2007.10.026 Unchecked 3
18096387 10.1016/j.bmcl.2007.12.005 Metabotropic glutamate receptor 2 3
20971004 10.1016/j.bmcl.2010.09.125 Metabotropic glutamate receptor 2 3
17964783 10.1016/j.bmcl.2007.10.026 Metabotropic glutamate receptor 1 1
17964783 10.1016/j.bmcl.2007.10.026 Metabotropic glutamate receptor 5 1
17964783 10.1016/j.bmcl.2007.10.026 Metabotropic glutamate receptor 3 1
18374569 10.1016/j.bmcl.2008.02.076 Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine