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

CHEMBL4762553

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
CC(C)N1CCC(c2nc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)co2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4762553
Phase Preclinical
Structure Type MOL
InChI Key MINZQUQYOBWGPZ-UHFFFAOYSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
4.46
ALogP
7
HBA
1
HBD
89.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6O2
MW 444.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.43

Activity Summary

EC50 7 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK2
CHEMBL4225
 EC50 8.3 8.3 5.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 EC50 7.8 7.8 16.0 2
Dual specificity protein kinase CLK3
CHEMBL4226
 EC50 7.7 7.7 20.0 1
Unchecked
CHEMBL612545
 EC50 7.24 7.17 57.3 2
Glycogen synthase kinase-3 beta
CHEMBL262
 EC50 5.59 5.59 2586.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein kinase CLK2 EC50 = 5.0 nM 8.3 Inhibition of recombinant CLK2 (unknown origin) using Ser/Thr 6 peptide as subst... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 16.0 nM 7.8 Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 16.0 nM 7.8 Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... -
Dual specificity protein kinase CLK3 EC50 = 20.0 nM 7.7 Inhibition of recombinant CLK3 (unknown origin) using Ser/Thr 18 peptide as subs... -
Unchecked EC50 = 57.3 nM 7.24 Inhibition of IL1-beta induced MMP3 expression levels in human chondrocytes asse... -
Unchecked EC50 = 80.0 nM 7.1 Effect on Wnt signaling pathway in human SW480 cells harbouring TCF/LEF lucifera... -
Glycogen synthase kinase-3 beta EC50 = 2586.0 nM 5.59 Kinase Assay: Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are ... -

Data from ChEMBL 36 via Core Engine