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Compound Detail

CHEMBL360847

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CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360847
Phase Preclinical
Structure Type MOL
InChI Key ZCBUQCWBWNUWSU-UHFFFAOYSA-N
18
Targets
18
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
3.51
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H28N4O3
MW 468.56
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.11

Activity Summary

Ki 18 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C theta type
CHEMBL3920
 Ki 8.8 8.8 1.6 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 7.7 7.7 19.9 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
 Ki 7.7 7.7 19.9 1
Dual specificity protein kinase CLK4
CHEMBL4203
 Ki 6.9 6.9 125.9 1
Dual specificity protein kinase CLK2
CHEMBL4225
 Ki 6.8 6.8 158.5 1
Macrophage-stimulating protein receptor
CHEMBL2689
 Ki 6.7 6.7 199.5 1
Serine/threonine-protein kinase Chk1
CHEMBL4630
 Ki 6.5 6.5 316.2 1
Serine/threonine-protein kinase TBK1
CHEMBL5408
 Ki 6.3 6.3 501.2 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
 Ki 6.2 6.2 631.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 6.1 6.1 794.3 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
 Ki 6.1 6.1 794.3 1
Tyrosine-protein kinase JAK3
CHEMBL2148
 Ki 5.7 5.7 1995.3 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
 Ki 5.7 5.7 1995.3 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 Ki 5.7 5.7 1995.3 1
Cyclin-dependent kinase 7
CHEMBL3055
 Ki 5.6 5.6 2511.9 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
 Ki 5.6 5.6 2511.9 1
ALK tyrosine kinase receptor
CHEMBL4247
 Ki 5.5 5.5 3162.3 1
G protein-coupled receptor kinase 5
CHEMBL5678
 Ki 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C theta type Ki = 1.585 nM 8.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase alpha-3 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-1 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK2 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage-stimulating protein receptor Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Chk1 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase TBK1 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1B Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 alpha Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK3 Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase TAO1 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 7 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
ALK tyrosine kinase receptor Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
G protein-coupled receptor kinase 5 Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine