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Compound Detail

CHEMBL5397288

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

Basic Information

ChEMBL ID CHEMBL5397288
Phase Preclinical
Structure Type MOL
InChI Key CAWABSRZIMATJO-UHFFFAOYSA-N
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
3.18
ALogP
8
HBA
1
HBD
107.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N6O3
MW 430.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.59

Activity Summary

IC50 8 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase SIK3
CHEMBL6149
 IC50 8.66 8.66 2.2 1
Serine/threonine-protein kinase SIK2
CHEMBL5699
 IC50 8.41 8.41 3.9 1
Serine/threonine-protein kinase SIK1
CHEMBL6082
 IC50 7.84 7.84 14.5 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 7.11 7.11 77.2 1
Tyrosine-protein kinase Lyn
CHEMBL3905
 IC50 7.04 7.04 91.9 1
Tyrosine-protein kinase ABL1
CHEMBL1862
 IC50 6.35 6.35 444.0 1
AMPK alpha1/beta2/gamma1
CHEMBL3038453
 IC50 6.19 6.19 648.7 1
TGF-beta receptor type-1
CHEMBL4439
 IC50 5.6 5.6 2494.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase SIK3 IC50 = 2.2 nM 8.66 Inhibition of human SIK3 isoform 1 (59 to 1321 residues) expressed in Sf9 insect... 38147525
Serine/threonine-protein kinase SIK2 IC50 = 3.9 nM 8.41 Inhibition of SIK2 (unknown origin) using AMARA peptide as substrate incubated f... 38147525
Serine/threonine-protein kinase SIK1 IC50 = 14.5 nM 7.84 Inhibition of SIK1 (unknown origin) using AMARA peptide as substrate incubated f... 38147525
Macrophage colony-stimulating factor 1 receptor IC50 = 77.2 nM 7.11 Inhibition of FMS (unknown origin) using poly (Glu,Tyr) as substrate incubated f... 38147525
Tyrosine-protein kinase Lyn IC50 = 91.9 nM 7.04 Inhibition of human LynA using poly (Glu,Tyr) as substrate incubated for 45 to 6... 38147525
Tyrosine-protein kinase ABL1 IC50 = 444.0 nM 6.35 Inhibition of Abl1 (unknown origin) using poly (Glu,Tyr) as substrate incubated ... 38147525
AMPK alpha1/beta2/gamma1 IC50 = 648.7 nM 6.19 Inhibition of AMPK alpha1/beta2/gamma1 (unknown origin) using SAMStide as substr... 38147525
TGF-beta receptor type-1 IC50 = 2494.0 nM 5.6 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