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Compound Detail

CHEMBL2002702

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Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1

Basic Information

ChEMBL ID CHEMBL2002702
Phase Preclinical
Structure Type MOL
InChI Key WUWDLXZGHZSWQZ-UHFFFAOYSA-N
63
Targets
67
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
3.12
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O
MW 238.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.24

Activity Summary

Ki 62 meas. best 8.3
IC50 5 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 8.3 8.3 5.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 7.7 7.7 19.9 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 7.7 7.7 19.9 1
NT-3 growth factor receptor
CHEMBL5608
Ki 7.7 7.7 19.9 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 7.5 7.5 31.6 1
Aurora kinase B
CHEMBL2185
Ki 7.4 7.4 39.8 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 7.4 7.4 39.8 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
Ki 7.1 7.1 79.4 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 7.0 7.0 100.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 7.0 7.0 100.0 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.9 6.9 125.9 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 6.9 6.9 125.9 1
Insulin receptor
CHEMBL1981
Ki 6.8 6.8 158.5 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 6.8 6.8 158.5 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.7 6.7 199.5 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 6.7 6.7 199.5 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 6.7 6.7 199.5 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 6.6 6.6 251.2 1
Tyrosine-protein kinase Fer
CHEMBL3982
Ki 6.5 6.5 316.2 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 6.5 6.5 316.2 1
Protein-tyrosine kinase 2-beta
CHEMBL5469
Ki 6.5 6.5 316.2 1
Casein kinase I isoform delta
CHEMBL2828
Ki 6.5 6.5 316.2 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 6.4 6.4 398.1 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 6.4 6.4 398.1 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase ITK/TSK
CHEMBL2959
Ki 6.4 6.4 398.1 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 6.3 6.3 501.2 1
Aurora kinase A
CHEMBL4722
Ki 6.3 6.3 501.2 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 6.3 6.3 501.2 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 6.3 6.3 501.2 1
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
Ki 6.2 6.2 631.0 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 6.1 6.1 794.3 1
Calcium/calmodulin-dependent protein kinase type II subunit gamma
CHEMBL3829
Ki 6.1 6.1 794.3 1
Tyrosine-protein kinase SYK
CHEMBL2599
Ki 6.1 6.1 794.3 1
Fibroblast growth factor receptor 3
CHEMBL2742
Ki 6.1 6.1 794.3 1
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
Ki 6.0 6.0 1000.0 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 6.0 6.0 1000.0 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.0 6.0 1000.0 1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CHEMBL2349
Ki 6.0 6.0 1000.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 5.9 5.9 1258.9 1
Misshapen-like kinase 1
CHEMBL5518
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 5.8 5.8 1584.9 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 5.8 5.8 1584.9 1
Tyrosine-protein kinase FRK
CHEMBL4223
Ki 5.8 5.8 1584.9 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 5.8 5.8 1584.9 1
Unchecked
CHEMBL612545
IC50 5.79 5.2125 1616.3 4
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 5.7 5.7 1995.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 Ki = 5.012 nM 8.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
NT-3 growth factor receptor Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 1 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase receptor Ret Ki = 31.62 nM 7.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase receptor UFO Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Chk2 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Blk Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase 17A Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase beta-1 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase alpha-3 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Insulin receptor Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
ALK tyrosine kinase receptor Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK2 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
High affinity nerve growth factor receptor Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform delta Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine