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Compound Detail

CHEMBL4846416

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O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4846416
Phase Preclinical
Structure Type MOL
InChI Key MHRXWIGLEVDPJT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
3.37
ALogP
4
HBA
2
HBD
65.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21F2N3O2
MW 409.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.08

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