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Compound Detail

CHEMBL1976090

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Nc1ncnc2c1sc1ncnc(N)c12

Basic Information

ChEMBL ID CHEMBL1976090
Phase Preclinical
Structure Type MOL
InChI Key IUEBPIPDFMCSTP-UHFFFAOYSA-N
64
Targets
64
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
0.80
ALogP
7
HBA
2
HBD
103.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H6N6S
MW 218.25
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -1.35

Activity Summary

Ki 64 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.9 7.9 12.6 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 7.4 7.4 39.8 1
Casein kinase I isoform delta
CHEMBL2828
Ki 7.3 7.3 50.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 7.1 7.1 79.4 1
Serine/threonine-protein kinase Sgk2
CHEMBL5794
Ki 6.8 6.8 158.5 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 6.7 6.7 199.5 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 6.7 6.7 199.5 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 6.6 6.6 251.2 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 6.5 6.5 316.2 1
Aurora kinase B
CHEMBL2185
Ki 6.5 6.5 316.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 3
CHEMBL4575
Ki 6.5 6.5 316.2 1
Death-associated protein kinase 3
CHEMBL2468
Ki 6.4 6.4 398.1 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 6.3 6.3 501.2 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 6.3 6.3 501.2 1
Aurora kinase A
CHEMBL4722
Ki 6.3 6.3 501.2 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 6.2 6.2 631.0 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 6.1 6.1 794.3 1
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 6.1 6.1 794.3 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 6.1 6.1 794.3 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.1 6.1 794.3 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 6.0 6.0 1000.0 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 6.0 6.0 1000.0 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 6.0 6.0 1000.0 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 6.0 6.0 1000.0 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 5.9 5.9 1258.9 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 5.9 5.9 1258.9 1
Casein kinase I isoform gamma-3
CHEMBL5084
Ki 5.9 5.9 1258.9 1
Casein kinase I isoform gamma-2
CHEMBL2543
Ki 5.9 5.9 1258.9 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 5.9 5.9 1258.9 1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CHEMBL2349
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
Ki 5.8 5.8 1584.9 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 5.8 5.8 1584.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.8 5.8 1584.9 1
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 5.8 5.8 1584.9 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 5.8 5.8 1584.9 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 5.8 5.8 1584.9 1
Maternal embryonic leucine zipper kinase
CHEMBL4578
Ki 5.8 5.8 1584.9 1
Proto-oncogene tyrosine-protein kinase ROS
CHEMBL5568
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.8 5.8 1584.9 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.7 5.7 1995.3 1
Megakaryocyte-associated tyrosine-protein kinase
CHEMBL4175
Ki 5.7 5.7 1995.3 1
Dual specificity tyrosine-phosphorylation-regulated kinase 4
CHEMBL1075115
Ki 5.7 5.7 1995.3 1
Serine/threonine-protein kinase BRSK1
CHEMBL5650
Ki 5.7 5.7 1995.3 1
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
Ki 5.6 5.6 2511.9 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
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 = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase 17A Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform delta Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Sgk2 Ki = 158.49 nM 6.8 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... -
Glycogen synthase kinase-3 alpha 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... -
Rho-associated protein kinase 1 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 3 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK4 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Death-associated protein kinase 3 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase beta-1 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase N2 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
MAP kinase-interacting serine/threonine-protein kinase 2 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cell division cycle 7-related protein kinase Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase D3 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine