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Compound Detail

CHEMBL1979690

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CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL1979690
Phase Preclinical
Structure Type MOL
InChI Key UVLOSTAZXZSNCP-UHFFFAOYSA-N
62
Targets
62
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.9
MW (Da)
4.25
ALogP
7
HBA
3
HBD
85.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN8
MW 434.94
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.82

Activity Summary

Ki 62 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 8.6 8.6 2.5 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 8.3 8.3 5.0 1
Wee1-like protein kinase
CHEMBL5491
Ki 8.1 8.1 7.9 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 7.9 7.9 12.6 1
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
Ki 7.8 7.8 15.8 1
Leukocyte tyrosine kinase receptor
CHEMBL5627
Ki 7.8 7.8 15.8 1
Insulin-like growth factor 1 receptor
CHEMBL1957
Ki 7.8 7.8 15.8 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 7.8 7.8 15.8 1
Aurora kinase A
CHEMBL4722
Ki 7.7 7.7 19.9 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 7.7 7.7 19.9 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.6 7.6 25.1 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 7.6 7.6 25.1 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 7.5 7.5 31.6 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 7.5 7.5 31.6 1
Platelet-derived growth factor receptor beta
CHEMBL1913
Ki 7.4 7.4 39.8 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 7.4 7.4 39.8 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 7.3 7.3 50.1 1
Focal adhesion kinase 1
CHEMBL2695
Ki 7.2 7.2 63.1 1
Activated CDC42 kinase 1
CHEMBL4599
Ki 7.2 7.2 63.1 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 7.1 7.1 79.4 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 7.1 7.1 79.4 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 7.1 7.1 79.4 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 7.0 7.0 100.0 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 7.0 7.0 100.0 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 7.0 7.0 100.0 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 7.0 7.0 100.0 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 7.0 7.0 100.0 1
Serine/threonine-protein kinase TBK1
CHEMBL5408
Ki 7.0 7.0 100.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 7.0 7.0 100.0 1
Activin receptor type-1
CHEMBL5903
Ki 7.0 7.0 100.0 1
Tyrosine-protein kinase ABL1
CHEMBL1862
Ki 7.0 7.0 100.0 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 6.9 6.9 125.9 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 6.9 6.9 125.9 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 6.9 6.9 125.9 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
Ki 6.9 6.9 125.9 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 6.8 6.8 158.5 1
Aurora kinase B
CHEMBL2185
Ki 6.8 6.8 158.5 1
Dual specificity mitogen-activated protein kinase kinase 2
CHEMBL2964
Ki 6.8 6.8 158.5 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
Ki 6.7 6.7 199.5 1
Hepatocyte growth factor receptor
CHEMBL3717
Ki 6.7 6.7 199.5 1
Death-associated protein kinase 3
CHEMBL2468
Ki 6.7 6.7 199.5 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
Ki 6.7 6.7 199.5 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 6.6 6.6 251.2 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 6.6 6.6 251.2 1
LIM domain kinase 1
CHEMBL3836
Ki 6.5 6.5 316.2 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.4 6.4 398.1 1
Macrophage-stimulating protein receptor
CHEMBL2689
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase BTK
CHEMBL5251
Ki 6.4 6.4 398.1 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 6.4 6.4 398.1 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 6.3 6.3 501.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK2 Ki = 2.512 nM 8.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase receptor Ret Ki = 5.012 nM 8.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Wee1-like protein kinase Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Leukocyte tyrosine kinase receptor 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... -
Insulin-like growth factor 1 receptor Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK3 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
ALK tyrosine kinase receptor Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lck Ki = 31.62 nM 7.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 31.62 nM 7.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Platelet-derived growth factor receptor beta Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 8 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase TAO1 Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Focal adhesion kinase 1 Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Activated CDC42 kinase 1 Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 7 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine