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Compound Detail

CHEMBL4846775

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NC(=O)c1cccc2c1CCN2c1cc(Cc2ccnc(C(F)(F)F)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4846775
Phase Preclinical
Structure Type MOL
InChI Key NSOHWNOCRLZBHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
3.88
ALogP
4
HBA
1
HBD
72.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F3N4O
MW 398.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.96

Activity Summary

EC50 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 52
CHEMBL3297639
 EC50 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 52 EC50 = 1.1 nM 8.96 Agonist activity at GPR52 (unknown origin) expressed in CHO-K1 or HEK293 cells a... -

Data from ChEMBL 36 via Core Engine