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Compound Detail

CHEMBL5396179

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CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C5CCOCC5)c4)ccc32)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396179
Phase Preclinical
Structure Type MOL
InChI Key SGMHSWUFNYQVBA-UHFFFAOYSA-N
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
4.01
ALogP
8
HBA
1
HBD
92.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N5O4
MW 475.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.27

Activity Summary

IC50 8 meas. best 8.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase SIK3
CHEMBL6149
 IC50 8.38 8.38 4.2 1
Serine/threonine-protein kinase SIK2
CHEMBL5699
 IC50 8.04 8.04 9.2 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 7.54 7.54 28.7 1
Serine/threonine-protein kinase SIK1
CHEMBL6082
 IC50 7.46 7.46 34.3 1
Tyrosine-protein kinase Lyn
CHEMBL3905
 IC50 6.96 6.96 111.0 1
Tyrosine-protein kinase ABL1
CHEMBL1862
 IC50 6.51 6.51 310.0 1
AMPK alpha1/beta2/gamma1
CHEMBL3038453
 IC50 6.28 6.28 531.2 1
TGF-beta receptor type-1
CHEMBL4439
 IC50 5.73 5.73 1849.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase SIK3 IC50 = 4.2 nM 8.38 Inhibition of human SIK3 isoform 1 (59 to 1321 residues) expressed in Sf9 insect... 38147525
Serine/threonine-protein kinase SIK2 IC50 = 9.2 nM 8.04 Inhibition of SIK2 (unknown origin) using AMARA peptide as substrate incubated f... 38147525
Macrophage colony-stimulating factor 1 receptor IC50 = 28.7 nM 7.54 Inhibition of FMS (unknown origin) using poly (Glu,Tyr) as substrate incubated f... 38147525
Serine/threonine-protein kinase SIK1 IC50 = 34.3 nM 7.46 Inhibition of SIK1 (unknown origin) using AMARA peptide as substrate incubated f... 38147525
Tyrosine-protein kinase Lyn IC50 = 111.0 nM 6.96 Inhibition of human LynA using poly (Glu,Tyr) as substrate incubated for 45 to 6... 38147525
Tyrosine-protein kinase ABL1 IC50 = 310.0 nM 6.51 Inhibition of Abl1 (unknown origin) using poly (Glu,Tyr) as substrate incubated ... 38147525
AMPK alpha1/beta2/gamma1 IC50 = 531.2 nM 6.28 Inhibition of AMPK alpha1/beta2/gamma1 (unknown origin) using SAMStide as substr... 38147525
TGF-beta receptor type-1 IC50 = 1849.0 nM 5.73 Inhibition of ALK5 (unknown origin) using casein as substrate incubated for 45 t... 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