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

CHEMBL2000071

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
OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12

Basic Information

ChEMBL ID CHEMBL2000071
Phase Preclinical
Structure Type MOL
InChI Key YUOWJICKAJQZLS-UHFFFAOYSA-N
62
Targets
62
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.42
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.62
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 C15H16N4O
MW 268.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.49

Activity Summary

Ki 62 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.7 7.7 19.9 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 7.4 7.4 39.8 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 7.2 7.2 63.1 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 6.9 6.9 125.9 1
NT-3 growth factor receptor
CHEMBL5608
Ki 6.8 6.8 158.5 1
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
Ki 6.8 6.8 158.5 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.7 6.7 199.5 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 6.7 6.7 199.5 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.7 6.7 199.5 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 6.6 6.6 251.2 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 6.6 6.6 251.2 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 6.6 6.6 251.2 1
Calcium/calmodulin-dependent protein kinase type II subunit gamma
CHEMBL3829
Ki 6.6 6.6 251.2 1
Misshapen-like kinase 1
CHEMBL5518
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
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 6.4 6.4 398.1 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.2 6.2 631.0 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.2 6.2 631.0 1
Testis-specific serine/threonine-protein kinase 1
CHEMBL6003
Ki 6.2 6.2 631.0 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase FRK
CHEMBL4223
Ki 6.1 6.1 794.3 1
Inhibitor of nuclear factor kappa-B kinase subunit alpha
CHEMBL3476
Ki 6.1 6.1 794.3 1
Protein-tyrosine kinase 2-beta
CHEMBL5469
Ki 6.1 6.1 794.3 1
Proto-oncogene tyrosine-protein kinase ROS
CHEMBL5568
Ki 6.1 6.1 794.3 1
Aurora kinase A
CHEMBL4722
Ki 6.1 6.1 794.3 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 6.1 6.1 794.3 1
Tyrosine-protein kinase SYK
CHEMBL2599
Ki 6.0 6.0 1000.0 1
Aurora kinase B
CHEMBL2185
Ki 6.0 6.0 1000.0 1
Calcium/calmodulin-dependent protein kinase type II subunit beta
CHEMBL4121
Ki 6.0 6.0 1000.0 1
Ribosomal protein S6 kinase alpha-5
CHEMBL4237
Ki 6.0 6.0 1000.0 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 6.0 6.0 1000.0 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 5.9 5.9 1258.9 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 5.9 5.9 1258.9 1
Maternal embryonic leucine zipper kinase
CHEMBL4578
Ki 5.9 5.9 1258.9 1
LIM domain kinase 1
CHEMBL3836
Ki 5.8 5.8 1584.9 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 5.8 5.8 1584.9 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 5.8 5.8 1584.9 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 5.8 5.8 1584.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.8 5.8 1584.9 1
Fibroblast growth factor receptor 3
CHEMBL2742
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase BRSK1
CHEMBL5650
Ki 5.7 5.7 1995.3 1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CHEMBL2349
Ki 5.7 5.7 1995.3 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 5.6 5.6 2511.9 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 5.6 5.6 2511.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein kinase CLK4 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
STE20-like serine/threonine-protein kinase 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 = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase 3 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
NT-3 growth factor receptor Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Calcium/calmodulin-dependent protein kinase type II subunit delta Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK2 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 4 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase receptor UFO Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Fyn Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 5 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Calcium/calmodulin-dependent protein kinase type II subunit gamma Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Misshapen-like kinase 1 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 2 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase MARK2 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cell division cycle 7-related protein kinase Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK3 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine