Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5782704

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1n[nH]c2cccc(OC[C@@H](O)CNCCc3ccccc3C(F)(F)F)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5782704
Phase Preclinical
Structure Type MOL
InChI Key WIQJAXVYMOEEDA-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
3.46
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22F3N3O2
MW 393.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 10.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 3
CHEMBL1075166
 IC50 10.32 10.32 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G protein-coupled receptor kinase 3 IC50 = 0.048 nM 10.32 Binding Assay: ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite ... -

Data from ChEMBL 36 via Core Engine