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Compound Detail

CHEMBL1971519

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Nc1n[nH]c2cccc(-c3ccc(F)cc3)c12

Basic Information

ChEMBL ID CHEMBL1971519
Phase Preclinical
Structure Type MOL
InChI Key QFHRPRDSAHFZEG-UHFFFAOYSA-N
46
Targets
46
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

227.2
MW (Da)
2.95
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.67
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 C13H10FN3
MW 227.24
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.92

Activity Summary

Ki 46 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.4 7.4 39.8 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 7.1 7.1 79.4 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
Ki 6.6 6.6 251.2 1
cAMP-dependent protein kinase catalytic subunit PRKX
CHEMBL5818
Ki 6.3 6.3 501.2 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 6.3 6.3 501.2 1
Activin receptor type-1
CHEMBL5903
Ki 6.0 6.0 1000.0 1
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
Ki 5.9 5.9 1258.9 1
Dual specificity mitogen-activated protein kinase kinase 2
CHEMBL2964
Ki 5.9 5.9 1258.9 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 5.7 5.7 1995.3 1
Platelet-derived growth factor receptor beta
CHEMBL1913
Ki 5.2 5.2 6309.6 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 5.2 5.2 6309.6 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 5.1 5.1 7943.3 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 5.1 5.1 7943.3 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 5.0 5.0 10000.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 4.9 4.9 12589.2 1
Tyrosine-protein kinase ABL1
CHEMBL1862
Ki 4.8 4.8 15848.9 1
Activated CDC42 kinase 1
CHEMBL4599
Ki 4.8 4.8 15848.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 4.7 4.7 19952.6 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 4.7 4.7 19952.6 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 4.7 4.7 19952.6 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 4.7 4.7 19952.6 1
Protein kinase C theta type
CHEMBL3920
Ki 4.7 4.7 19952.6 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 4.7 4.7 19952.6 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 4.7 4.7 19952.6 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 4.7 4.7 19952.6 1
Focal adhesion kinase 1
CHEMBL2695
Ki 4.7 4.7 19952.6 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 4.6 4.6 25118.9 1
Calcium/calmodulin-dependent protein kinase type II subunit alpha
CHEMBL4147
Ki 4.6 4.6 25118.9 1
Hepatocyte growth factor receptor
CHEMBL3717
Ki 4.5 4.5 31622.8 1
G protein-coupled receptor kinase 5
CHEMBL5678
Ki 4.5 4.5 31622.8 1
Leukocyte tyrosine kinase receptor
CHEMBL5627
Ki 4.5 4.5 31622.8 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 4.5 4.5 31622.8 1
Death-associated protein kinase 3
CHEMBL2468
Ki 4.4 4.4 39810.7 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
Ki 4.4 4.4 39810.7 1
Mitogen-activated protein kinase 14
CHEMBL260
Ki 4.3 4.3 50118.7 1
Insulin-like growth factor 1 receptor
CHEMBL1957
Ki 4.3 4.3 50118.7 1
Calcium/calmodulin-dependent protein kinase type 1D
CHEMBL5073
Ki 4.3 4.3 50118.7 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 4.3 4.3 50118.7 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 4.3 4.3 50118.7 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 4.3 4.3 50118.7 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 4.3 4.3 50118.7 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 4.2 4.2 63095.7 1
Macrophage-stimulating protein receptor
CHEMBL2689
Ki 4.2 4.2 63095.7 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 4.2 4.2 63095.7 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 4.1 4.1 79432.8 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 4.1 4.1 79432.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein kinase CLK4 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity mitogen-activated protein kinase kinase 1 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit PRKX Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 1 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Activin receptor type-1 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 2 Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Leucine-rich repeat serine/threonine-protein kinase 2 Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK2 Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Platelet-derived growth factor receptor beta Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1B Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 7943.28 nM 5.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform alpha Ki = 7943.28 nM 5.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lck Ki = 10000.0 nM 5.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 12589.25 nM 4.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Activated CDC42 kinase 1 Ki = 15848.93 nM 4.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase ABL1 Ki = 15848.93 nM 4.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Focal adhesion kinase 1 Ki = 19952.62 nM 4.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 7 Ki = 19952.62 nM 4.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 19952.62 nM 4.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine