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Compound Detail

CHEMBL3953157

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COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1

Basic Information

ChEMBL ID CHEMBL3953157
Phase Preclinical
Structure Type MOL
InChI Key GZWNMOXEJQPPQC-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.53
ALogP
5
HBA
1
HBD
91.0
PSA (Ų)
0.56
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 C22H17FN4O2
MW 388.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.77

Activity Summary

IC50 6 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
IC50 8.0 7.925 10.0 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine