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

CHEMBL5401167

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
CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC)c4)ccc32)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401167
Phase Preclinical
Structure Type MOL
InChI Key UARVSLPFGRKWQN-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.68
ALogP
7
HBA
1
HBD
83.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N5O3
MW 419.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.59

Activity Summary

IC50 9 meas. best 8.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase SIK3
CHEMBL6149
 IC50 8.54 8.54 2.9 1
Serine/threonine-protein kinase SIK2
CHEMBL5699
 IC50 8.1 8.1 7.9 1
Serine/threonine-protein kinase SIK1
CHEMBL6082
 IC50 7.7 7.7 20.2 1
Tyrosine-protein kinase ABL1
CHEMBL1862
 IC50 7.28 7.28 52.5 1
Tyrosine-protein kinase Lyn
CHEMBL3905
 IC50 7.12 7.12 75.3 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 7.07 7.07 84.4 1
TGF-beta receptor type-1
CHEMBL4439
 IC50 6.26 6.26 550.6 1
AMPK alpha1/beta2/gamma1
CHEMBL3038453
 IC50 6.18 6.18 658.6 1
TGF-beta receptor type-2
CHEMBL4267
 IC50 6.15 6.15 703.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase SIK3 IC50 = 2.9 nM 8.54 Inhibition of human SIK3 isoform 1 (59 to 1321 residues) expressed in Sf9 insect... 38147525
Serine/threonine-protein kinase SIK2 IC50 = 7.9 nM 8.1 Inhibition of SIK2 (unknown origin) using AMARA peptide as substrate incubated f... 38147525
Serine/threonine-protein kinase SIK1 IC50 = 20.2 nM 7.7 Inhibition of SIK1 (unknown origin) using AMARA peptide as substrate incubated f... 38147525
Tyrosine-protein kinase ABL1 IC50 = 52.5 nM 7.28 Inhibition of Abl1 (unknown origin) using poly (Glu,Tyr) as substrate incubated ... 38147525
Tyrosine-protein kinase Lyn IC50 = 75.3 nM 7.12 Inhibition of human LynA using poly (Glu,Tyr) as substrate incubated for 45 to 6... 38147525
Macrophage colony-stimulating factor 1 receptor IC50 = 84.4 nM 7.07 Inhibition of FMS (unknown origin) using poly (Glu,Tyr) as substrate incubated f... 38147525
TGF-beta receptor type-1 IC50 = 550.6 nM 6.26 Inhibition of ALK5 (unknown origin) using casein as substrate incubated for 45 t... 38147525
AMPK alpha1/beta2/gamma1 IC50 = 658.6 nM 6.18 Inhibition of AMPK alpha1/beta2/gamma1 (unknown origin) using SAMStide as substr... 38147525
TGF-beta receptor type-2 IC50 = 703.2 nM 6.15 Inhibition of TGFbetaR2 (unknown origin) autophosphorylation incubated for 45 to... 38147525

Literature References

PubMed DOI Target Context # Activities
38147525 10.1021/acs.jmedchem.3c01428 Serine/threonine-protein kinase SIK1 1
38147525 10.1021/acs.jmedchem.3c01428 Serine/threonine-protein kinase SIK2 1
38147525 10.1021/acs.jmedchem.3c01428 Serine/threonine-protein kinase SIK3 1
38147525 10.1021/acs.jmedchem.3c01428 Tyrosine-protein kinase ABL1 1
38147525 10.1021/acs.jmedchem.3c01428 TGF-beta receptor type-1 1
38147525 10.1021/acs.jmedchem.3c01428 AMPK alpha1/beta2/gamma1 1
38147525 10.1021/acs.jmedchem.3c01428 Macrophage colony-stimulating factor 1 receptor 1
38147525 10.1021/acs.jmedchem.3c01428 Tyrosine-protein kinase Lyn 1
38147525 10.1021/acs.jmedchem.3c01428 TGF-beta receptor type-2 1

Data from ChEMBL 36 via Core Engine