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Compound Detail

CHEMBL1992937

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Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1

Basic Information

ChEMBL ID CHEMBL1992937
Phase Preclinical
Structure Type MOL
InChI Key SYLTYCLPHHSEIJ-UHFFFAOYSA-N
47
Targets
47
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
2.92
ALogP
5
HBA
2
HBD
96.7
PSA (Ų)
0.56
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 C13H11N5O2
MW 269.26
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.88

Activity Summary

Ki 47 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 8.0 8.0 10.0 1
Casein kinase I isoform gamma-2
CHEMBL2543
Ki 7.3 7.3 50.1 1
Cyclin-dependent kinase 9
CHEMBL3116
Ki 7.2 7.2 63.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 3
CHEMBL4575
Ki 6.9 6.9 125.9 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 6.9 6.9 125.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 6.8 6.8 158.5 1
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 6.8 6.8 158.5 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 6.7 6.7 199.5 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.6 6.6 251.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 6.6 6.6 251.2 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 6.6 6.6 251.2 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 6.5 6.5 316.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.4 6.4 398.1 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase ITK/TSK
CHEMBL2959
Ki 6.4 6.4 398.1 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 6.3 6.3 501.2 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 6.2 6.2 631.0 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.2 6.2 631.0 1
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
Ki 6.1 6.1 794.3 1
Casein kinase I isoform delta
CHEMBL2828
Ki 6.1 6.1 794.3 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase Sgk2
CHEMBL5794
Ki 6.1 6.1 794.3 1
Tyrosine-protein kinase ABL1
CHEMBL1862
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase Nek4
CHEMBL5819
Ki 6.1 6.1 794.3 1
Platelet-derived growth factor receptor beta
CHEMBL1913
Ki 6.1 6.1 794.3 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 6.0 6.0 1000.0 1
SRSF protein kinase 1
CHEMBL4375
Ki 6.0 6.0 1000.0 1
Mitogen-activated protein kinase kinase kinase 20
CHEMBL3886
Ki 5.9 5.9 1258.9 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 5.9 5.9 1258.9 1
Misshapen-like kinase 1
CHEMBL5518
Ki 5.9 5.9 1258.9 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 5.9 5.9 1258.9 1
Aurora kinase B
CHEMBL2185
Ki 5.8 5.8 1584.9 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 5.8 5.8 1584.9 1
Maternal embryonic leucine zipper kinase
CHEMBL4578
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 5.8 5.8 1584.9 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 5.7 5.7 1995.3 1
Hepatocyte growth factor receptor
CHEMBL3717
Ki 5.7 5.7 1995.3 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.6 5.6 2511.9 1
Homeodomain-interacting protein kinase 4
CHEMBL1075167
Ki 5.5 5.5 3162.3 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 5.5 5.5 3162.3 1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CHEMBL2349
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 5.3 5.3 5011.9 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 5.3 5.3 5011.9 1
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
Ki 5.3 5.3 5011.9 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 5.2 5.2 6309.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein kinase CLK4 Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-2 Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 9 Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 1 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 3 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 = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1B Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 7 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK2 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 4 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase ITK/TSK Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 1 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
STE20-like serine/threonine-protein kinase Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 8 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 2 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform delta Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Nek4 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