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Compound Detail

CHEMBL1968151

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O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1968151
Phase Preclinical
Structure Type MOL
InChI Key RYSOFKOEVPNDDI-UHFFFAOYSA-N
19
Targets
19
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
1.69
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7N5OS
MW 269.29
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness -2.03

Activity Summary

Ki 19 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
 Ki 7.2 7.2 63.1 1
Casein kinase II subunit alpha
CHEMBL3629
 Ki 6.9 6.9 125.9 1
Death-associated protein kinase 3
CHEMBL2468
 Ki 6.8 6.8 158.5 1
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 6.6 6.6 251.2 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
 Ki 6.3 6.3 501.2 1
Rho-associated protein kinase 2
CHEMBL2973
 Ki 6.3 6.3 501.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 Ki 6.2 6.2 631.0 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
 Ki 6.2 6.2 631.0 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 6.1 6.1 794.3 1
Dual specificity tyrosine-phosphorylation-regulated kinase 4
CHEMBL1075115
 Ki 5.7 5.7 1995.3 1
Dual specificity protein kinase CLK4
CHEMBL4203
 Ki 5.6 5.6 2511.9 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
 Ki 5.6 5.6 2511.9 1
Rho-associated protein kinase 1
CHEMBL3231
 Ki 5.4 5.4 3981.1 1
Mitogen-activated protein kinase 12
CHEMBL4674
 Ki 5.2 5.2 6309.6 1
Serine/threonine-protein kinase N2
CHEMBL3032
 Ki 5.2 5.2 6309.6 1
Serine/threonine-protein kinase Nek4
CHEMBL5819
 Ki 5.2 5.2 6309.6 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
 Ki 5.2 5.2 6309.6 1
SRSF protein kinase 1
CHEMBL4375
 Ki 5.1 5.1 7943.3 1
Mitogen-activated protein kinase 13
CHEMBL2939
 Ki 5.1 5.1 7943.3 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 = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase II subunit alpha Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Death-associated protein kinase 3 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 alpha Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-3 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-1 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 4 Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 2 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 1 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Nek4 Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase N2 Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 12 Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 13 Ki = 7943.28 nM 5.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
SRSF protein kinase 1 Ki = 7943.28 nM 5.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine