Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2006439

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1

Basic Information

ChEMBL ID CHEMBL2006439
Phase Preclinical
Structure Type MOL
InChI Key CLEGDJQQHUTCOW-UHFFFAOYSA-N
58
Targets
58
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
4.42
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18ClN5
MW 327.82
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.17

Activity Summary

Ki 58 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 9.3 9.3 0.5 1
Cyclin-dependent kinase 8
CHEMBL5719
Ki 8.4 8.4 4.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 8.1 8.1 7.9 1
Misshapen-like kinase 1
CHEMBL5518
Ki 8.1 8.1 7.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 3
CHEMBL4575
Ki 8.1 8.1 7.9 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 7.8 7.8 15.8 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 7.7 7.7 19.9 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 7.5 7.5 31.6 1
Casein kinase I isoform gamma-3
CHEMBL5084
Ki 7.5 7.5 31.6 1
Casein kinase I isoform gamma-2
CHEMBL2543
Ki 7.4 7.4 39.8 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 7.3 7.3 50.1 1
Casein kinase I isoform delta
CHEMBL2828
Ki 7.2 7.2 63.1 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 7.1 7.1 79.4 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 7.0 7.0 100.0 1
Serine/threonine-protein kinase MRCK alpha
CHEMBL4516
Ki 6.9 6.9 125.9 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 6.9 6.9 125.9 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.9 6.9 125.9 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 6.9 6.9 125.9 1
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 6.9 6.9 125.9 1
NT-3 growth factor receptor
CHEMBL5608
Ki 6.8 6.8 158.5 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.8 6.8 158.5 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 6.8 6.8 158.5 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.7 6.7 199.5 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 6.7 6.7 199.5 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
Ki 6.7 6.7 199.5 1
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 6.6 6.6 251.2 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 6.6 6.6 251.2 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 6.6 6.6 251.2 1
Maternal embryonic leucine zipper kinase
CHEMBL4578
Ki 6.5 6.5 316.2 1
Mitogen-activated protein kinase 1
CHEMBL4040
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase Fer
CHEMBL3982
Ki 6.4 6.4 398.1 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 6.4 6.4 398.1 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 6.4 6.4 398.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 4
CHEMBL1075115
Ki 6.3 6.3 501.2 1
Calcium/calmodulin-dependent protein kinase type II subunit gamma
CHEMBL3829
Ki 6.3 6.3 501.2 1
Death-associated protein kinase 3
CHEMBL2468
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase PLK1
CHEMBL3024
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase Sgk2
CHEMBL5794
Ki 6.1 6.1 794.3 1
cGMP-dependent protein kinase 1
CHEMBL4273
Ki 6.1 6.1 794.3 1
SRSF protein kinase 1
CHEMBL4375
Ki 6.1 6.1 794.3 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.0 6.0 1000.0 1
Protein kinase C gamma type
CHEMBL2938
Ki 6.0 6.0 1000.0 1
Homeodomain-interacting protein kinase 4
CHEMBL1075167
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase ITK/TSK
CHEMBL2959
Ki 5.9 5.9 1258.9 1
Mitogen-activated protein kinase 13
CHEMBL2939
Ki 5.9 5.9 1258.9 1
Calcium/calmodulin-dependent protein kinase type II subunit beta
CHEMBL4121
Ki 5.8 5.8 1584.9 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 5.8 5.8 1584.9 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 5.7 5.7 1995.3 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 5.7 5.7 1995.3 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 = 0.5012 nM 9.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 8 Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1B Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Misshapen-like kinase 1 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 3 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 1 Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-3 Ki = 31.62 nM 7.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 1 Ki = 31.62 nM 7.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-2 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 1 Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform delta Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
MAP kinase-interacting serine/threonine-protein kinase 2 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 2 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-1 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase MRCK alpha Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 4 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine