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Compound Detail

CHEMBL1973711

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N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1973711
Phase Preclinical
Structure Type MOL
InChI Key OKCNACDPDSQZSE-UHFFFAOYSA-N
22
Targets
22
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.7
MW (Da)
1.98
ALogP
5
HBA
3
HBD
113.9
PSA (Ų)
0.55
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 C13H6ClN3O3
MW 287.66
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.72

Activity Summary

Ki 22 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 alpha
CHEMBL2850
 Ki 7.0 7.0 100.0 1
Casein kinase II subunit alpha
CHEMBL3629
 Ki 6.6 6.6 251.2 1
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 6.6 6.6 251.2 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 Ki 6.4 6.4 398.1 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase PLK3
CHEMBL4897
 Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 6.1 6.1 794.3 1
Tyrosine-protein kinase JAK2
CHEMBL2971
 Ki 5.9 5.9 1258.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 Ki 5.8 5.8 1584.9 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 Ki 5.8 5.8 1584.9 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
 Ki 5.6 5.6 2511.9 1
MAP kinase-activated protein kinase 3
CHEMBL4670
 Ki 5.6 5.6 2511.9 1
Aurora kinase A
CHEMBL4722
 Ki 5.6 5.6 2511.9 1
RAC-beta serine/threonine-protein kinase
CHEMBL2431
 Ki 5.5 5.5 3162.3 1
MAP kinase-activated protein kinase 2
CHEMBL2208
 Ki 5.4 5.4 3981.1 1
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
 Ki 5.4 5.4 3981.1 1
Aurora kinase B
CHEMBL2185
 Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase PLK1
CHEMBL3024
 Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase Nek2
CHEMBL3835
 Ki 5.3 5.3 5011.9 1
Cyclin-dependent kinase 5
CHEMBL4036
 Ki 5.3 5.3 5011.9 1
Mitogen-activated protein kinase 12
CHEMBL4674
 Ki 5.3 5.3 5011.9 1
RAC-gamma serine/threonine-protein kinase
CHEMBL4816
 Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 alpha Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase II subunit alpha Ki = 251.19 nM 6.6 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... -
Macrophage colony-stimulating factor 1 receptor Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 1 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK3 Ki = 794.33 nM 6.1 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... -
Tyrosine-protein kinase JAK2 Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
MAP kinase-activated protein kinase 3 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
5'-AMP-activated protein kinase catalytic subunit alpha-1 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
RAC-beta serine/threonine-protein kinase Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
MAP kinase-activated protein kinase 2 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
RAC-alpha serine/threonine-protein kinase Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK1 Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Nek2 Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine