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Compound Detail

CHEMBL4846977

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COC[C@@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4846977
Phase Preclinical
Structure Type MOL
InChI Key SJZJTFDXJNCVEL-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
3.52
ALogP
5
HBA
2
HBD
74.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24F3N3O3
MW 471.48
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.03

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