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

CHEMBL2004515

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
c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1

Basic Information

ChEMBL ID CHEMBL2004515
Phase Preclinical
Structure Type MOL
InChI Key QNLMLEYLZSGBHP-UHFFFAOYSA-N
52
Targets
52
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
2.35
ALogP
4
HBA
1
HBD
60.0
PSA (Ų)
0.71
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 C13H9N3O2
MW 239.23
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.38

Activity Summary

Ki 52 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.3 7.3 50.1 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 6.6 6.6 251.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 6.6 6.6 251.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 6.6 6.6 251.2 1
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
Ki 6.4 6.4 398.1 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 6.4 6.4 398.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 6.0 6.0 1000.0 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase Chk1
CHEMBL4630
Ki 5.8 5.8 1584.9 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 5.8 5.8 1584.9 1
Leukocyte tyrosine kinase receptor
CHEMBL5627
Ki 5.8 5.8 1584.9 1
Death-associated protein kinase 3
CHEMBL2468
Ki 5.7 5.7 1995.3 1
LIM domain kinase 1
CHEMBL3836
Ki 5.7 5.7 1995.3 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 5.6 5.6 2511.9 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 5.5 5.5 3162.3 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 5.5 5.5 3162.3 1
Macrophage-stimulating protein receptor
CHEMBL2689
Ki 5.5 5.5 3162.3 1
G protein-coupled receptor kinase 5
CHEMBL5678
Ki 5.5 5.5 3162.3 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 5.5 5.5 3162.3 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.4 5.4 3981.1 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 5.4 5.4 3981.1 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 5.4 5.4 3981.1 1
Aurora kinase A
CHEMBL4722
Ki 5.4 5.4 3981.1 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 5.3 5.3 5011.9 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 5.3 5.3 5011.9 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 5.3 5.3 5011.9 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 5.2 5.2 6309.6 1
Dual specificity mitogen-activated protein kinase kinase 2
CHEMBL2964
Ki 5.2 5.2 6309.6 1
Focal adhesion kinase 1
CHEMBL2695
Ki 5.2 5.2 6309.6 1
Activated CDC42 kinase 1
CHEMBL4599
Ki 5.2 5.2 6309.6 1
Activin receptor type-1
CHEMBL5903
Ki 5.1 5.1 7943.3 1
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
CHEMBL3529
Ki 5.1 5.1 7943.3 1
Protein kinase C theta type
CHEMBL3920
Ki 5.1 5.1 7943.3 1
Tyrosine-protein kinase ABL1
CHEMBL1862
Ki 5.1 5.1 7943.3 1
Calcium/calmodulin-dependent protein kinase type II subunit alpha
CHEMBL4147
Ki 5.0 5.0 10000.0 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 5.0 5.0 10000.0 1
Calcium/calmodulin-dependent protein kinase type 1D
CHEMBL5073
Ki 5.0 5.0 10000.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 4.9 4.9 12589.2 1
Insulin-like growth factor 1 receptor
CHEMBL1957
Ki 4.9 4.9 12589.2 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 4.9 4.9 12589.2 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 4.9 4.9 12589.2 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
Ki 4.8 4.8 15848.9 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 4.8 4.8 15848.9 1
Aurora kinase B
CHEMBL2185
Ki 4.7 4.7 19952.6 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 4.6 4.6 25118.9 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 4.6 4.6 25118.9 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 4.5 4.5 31622.8 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 4.4 4.4 39810.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein kinase CLK4 Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1B Ki = 251.19 nM 6.6 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... -
Leucine-rich repeat serine/threonine-protein kinase 2 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 1 Ki = 398.11 nM 6.4 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... -
Tyrosine-protein kinase JAK2 Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity mitogen-activated protein kinase kinase 1 Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Chk1 Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Leukocyte tyrosine kinase receptor Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
LIM domain kinase 1 Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Death-associated protein kinase 3 Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase receptor Ret Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
G protein-coupled receptor kinase 5 Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage-stimulating protein receptor Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
BDNF/NT-3 growth factors receptor Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform alpha Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5441456 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine