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Compound Detail

CHEMBL1969151

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CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1

Basic Information

ChEMBL ID CHEMBL1969151
Phase Preclinical
Structure Type MOL
InChI Key XUFLBSMTYMFOQH-UHFFFAOYSA-N
57
Targets
57
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.9
MW (Da)
3.96
ALogP
5
HBA
2
HBD
69.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23ClN6
MW 370.89
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.35

Activity Summary

Ki 57 meas. best 9.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 9.5 9.5 0.3 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 8.9 8.9 1.3 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 8.6 8.6 2.5 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 8.6 8.6 2.5 1
Maternal embryonic leucine zipper kinase
CHEMBL4578
Ki 8.5 8.5 3.2 1
Cyclin-dependent kinase 9
CHEMBL3116
Ki 8.3 8.3 5.0 1
Protein kinase C theta type
CHEMBL3920
Ki 8.1 8.1 7.9 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 8.0 8.0 10.0 1
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 8.0 8.0 10.0 1
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
Ki 7.8 7.8 15.8 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 7.8 7.8 15.8 1
Cyclin-dependent kinase 8
CHEMBL5719
Ki 7.8 7.8 15.8 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 7.6 7.6 25.1 1
cAMP-dependent protein kinase catalytic subunit PRKX
CHEMBL5818
Ki 7.6 7.6 25.1 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 7.6 7.6 25.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 7.6 7.6 25.1 1
Misshapen-like kinase 1
CHEMBL5518
Ki 7.5 7.5 31.6 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 7.4 7.4 39.8 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 7.4 7.4 39.8 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 7.4 7.4 39.8 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 7.3 7.3 50.1 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 7.2 7.2 63.1 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 7.2 7.2 63.1 1
Death-associated protein kinase 3
CHEMBL2468
Ki 7.2 7.2 63.1 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 7.1 7.1 79.4 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 7.1 7.1 79.4 1
Macrophage-stimulating protein receptor
CHEMBL2689
Ki 7.1 7.1 79.4 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 7.0 7.0 100.0 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.9 6.9 125.9 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 6.8 6.8 158.5 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
Ki 6.7 6.7 199.5 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.6 6.6 251.2 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 6.6 6.6 251.2 1
Dual specificity mitogen-activated protein kinase kinase 2
CHEMBL2964
Ki 6.5 6.5 316.2 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 6.5 6.5 316.2 1
Calcium/calmodulin-dependent protein kinase type II subunit alpha
CHEMBL4147
Ki 6.4 6.4 398.1 1
Leukocyte tyrosine kinase receptor
CHEMBL5627
Ki 6.3 6.3 501.2 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 6.3 6.3 501.2 1
G protein-coupled receptor kinase 5
CHEMBL5678
Ki 6.2 6.2 631.0 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 6.1 6.1 794.3 1
Aurora kinase B
CHEMBL2185
Ki 6.1 6.1 794.3 1
Platelet-derived growth factor receptor beta
CHEMBL1913
Ki 6.0 6.0 1000.0 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 6.0 6.0 1000.0 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 5.9 5.9 1258.9 1
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
Ki 5.9 5.9 1258.9 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 5.9 5.9 1258.9 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 5.8 5.8 1584.9 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 5.8 5.8 1584.9 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 5.8 5.8 1584.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.8 5.8 1584.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cell division cycle 7-related protein kinase Ki = 0.3162 nM 9.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 1 Ki = 1.259 nM 8.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 2.512 nM 8.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 2.512 nM 8.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Maternal embryonic leucine zipper kinase Ki = 3.162 nM 8.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 9 Ki = 5.012 nM 8.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Protein kinase C theta type Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase N2 Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase D3 Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 8 Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Leucine-rich repeat serine/threonine-protein kinase 2 Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1B Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit PRKX Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Misshapen-like kinase 1 Ki = 31.62 nM 7.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK2 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine