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

CHEMBL3728261

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
O=C(CNc1cccc(Oc2ccc(OC(F)(F)F)cc2)c1)N/N=C/c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3728261
Phase Preclinical
Structure Type MOL
InChI Key QXRBEAPKMFMRIP-UVHMKAGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
4.33
ALogP
6
HBA
2
HBD
84.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F3N4O3
MW 430.39
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.81

Activity Summary

Ki 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-adrenergic receptor kinase 1
CHEMBL4079
 Ki 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-adrenergic receptor kinase 1 Ki = 100.0 nM 7.0 Inhibition of human GRK2 after 90 to 120 mins by Kinase-Glo assay -

Data from ChEMBL 36 via Core Engine