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Compound Detail

CHEMBL5950884

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COc1c(F)ccc(F)c1C1CCN(c2cnn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5950884
Phase Preclinical
Structure Type MOL
InChI Key PAKBPSCCHQARLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
4.77
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22F5N5O
MW 467.44
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.20

Activity Summary

EC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
 EC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 0.2 nM 9.7 MGluR2 cAMP Assay: Clonally expressed human mGluR2 in HEK293 background was glut... -

Data from ChEMBL 36 via Core Engine