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

CHEMBL3589671

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(O)c1nc2ccc(I)cc2c2[nH]c3c(Cl)cccc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589671
Phase Preclinical
Structure Type MOL
InChI Key WGBRJADREQKUMW-UHFFFAOYSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
4.83
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8ClIN2O2
MW 422.61
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.89

Activity Summary

IC50 7 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 IC50 6.75 6.75 180.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 2
CHEMBL4376
 IC50 6.66 6.66 220.0 1
Dual specificity protein kinase CLK2
CHEMBL1075281
 IC50 5.89 5.89 1300.0 1
Cyclin-dependent kinase 9
CHEMBL3116
 IC50 5.66 5.66 2200.0 1
Dual specificity protein kinase CLK1
CHEMBL1075280
 IC50 5.47 5.47 3400.0 1
Dual specificity protein kinase CLK4
CHEMBL1075283
 IC50 5.44 5.44 3600.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
 IC50 5.31 5.31 4900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 = 180.0 nM 6.75 Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS pe... 25730262
Dual specificity tyrosine-phosphorylation-regulated kinase 2 IC50 = 220.0 nM 6.66 Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS pep... 25730262
Dual specificity protein kinase CLK2 IC50 = 1300.0 nM 5.89 Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using RS pept... 25730262
Cyclin-dependent kinase 9 IC50 = 2200.0 nM 5.66 Inhibition of human recombinant CDK9 expressed in insect cells using CDK7/9 tide... 25730262
Dual specificity protein kinase CLK1 IC50 = 3400.0 nM 5.47 Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS pept... 25730262
Dual specificity protein kinase CLK4 IC50 = 3600.0 nM 5.44 Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS pept... 25730262
Dual specificity tyrosine-phosphorylation-regulated kinase 1B IC50 = 4900.0 nM 5.31 Inhibition of human recombinant DYRK1B expressed in Escherichia coli using RS pe... 25730262

Literature References

PubMed DOI Target Context # Activities
25730262 10.1021/jm501994d Unchecked 2
25730262 10.1021/jm501994d Cyclin-dependent kinase 2 1
25730262 10.1021/jm501994d Cyclin-dependent kinase 5 1
25730262 10.1021/jm501994d Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
25730262 10.1021/jm501994d Cyclin-dependent kinase 9 1
25730262 10.1021/jm501994d Dual specificity protein kinase CLK1 1
25730262 10.1021/jm501994d Dual specificity protein kinase CLK2 1
25730262 10.1021/jm501994d Dual specificity protein kinase CLK3 1
25730262 10.1021/jm501994d Dual specificity protein kinase CLK4 1
25730262 10.1021/jm501994d Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
25730262 10.1021/jm501994d Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
25730262 10.1021/jm501994d Dual specificity tyrosine-phosphorylation-regulated kinase 3 1

Data from ChEMBL 36 via Core Engine