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

CHEMBL3809796

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
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)NCc3nccc4ccccc34)c2)NC(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3809796
Phase Preclinical
Structure Type MOL
InChI Key UGYAZGXSMRGKRD-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

549.6
MW (Da)
4.45
ALogP
5
HBA
5
HBD
140.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H24FN7O3
MW 549.57
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -1.70

Activity Summary

IC50 8 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 1
CHEMBL3231
 IC50 7.92 7.845 12.0 2
Rhodopsin kinase GRK1
CHEMBL5607
 IC50 7.16 7.08 70.0 2
Beta-adrenergic receptor kinase 1
CHEMBL4079
 IC50 6.55 6.065 280.0 2
G protein-coupled receptor kinase 5
CHEMBL5678
 IC50 5.75 5.51 1800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rho-associated protein kinase 1 IC50 = 12.0 nM 7.92 Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay 27050625
Rho-associated protein kinase 1 IC50 = 17.0 nM 7.77 Assays for Inhibition of ROCK: Rho-associated coiled-coil kinase (ROCK) assays w... -
Rhodopsin kinase GRK1 IC50 = 70.0 nM 7.16 Assays for Inhibition of GRKs: GRK1, 2 and 5 kinetic assays were conducted in a ... -
Rhodopsin kinase GRK1 IC50 = 100.0 nM 7.0 Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE metho... 27050625
Beta-adrenergic receptor kinase 1 IC50 = 280.0 nM 6.55 Inhibition of full length C-terminal hexahistidine tagged GRK2 (unknown origin) ... 27050625
G protein-coupled receptor kinase 5 IC50 = 1800.0 nM 5.75 Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE metho... 27050625
Beta-adrenergic receptor kinase 1 IC50 = 2600.0 nM 5.58 Assays for Inhibition of GRKs: GRK1, 2 and 5 kinetic assays were conducted in a ... -
G protein-coupled receptor kinase 5 IC50 = 5400.0 nM 5.27 Assays for Inhibition of GRKs: GRK1, 2 and 5 kinetic assays were conducted in a ... -

Literature References

PubMed DOI Target Context # Activities
27050625 10.1021/acs.jmedchem.5b02000 Rhodopsin kinase GRK1 2
27050625 10.1021/acs.jmedchem.5b02000 Unchecked 2
27050625 10.1021/acs.jmedchem.5b02000 Beta-adrenergic receptor kinase 1 1
27050625 10.1021/acs.jmedchem.5b02000 G protein-coupled receptor kinase 5 1
27050625 10.1021/acs.jmedchem.5b02000 Rho-associated protein kinase 1 1

Data from ChEMBL 36 via Core Engine