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Compound Detail

CHEMBL1973937

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Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)n[nH]c12

Basic Information

ChEMBL ID CHEMBL1973937
Phase Preclinical
Structure Type MOL
InChI Key LCGSWTFWYNYUKS-UHFFFAOYSA-N
62
Targets
62
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.3
MW (Da)
5.53
ALogP
3
HBA
4
HBD
95.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18BrN5O
MW 436.31
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.17

Activity Summary

Ki 62 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 8.5 8.5 3.2 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 7.8 7.8 15.8 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 7.7 7.7 19.9 1
Homeodomain-interacting protein kinase 4
CHEMBL1075167
Ki 7.5 7.5 31.6 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 7.4 7.4 39.8 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 7.3 7.3 50.1 1
Tyrosine-protein kinase FRK
CHEMBL4223
Ki 7.3 7.3 50.1 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 7.3 7.3 50.1 1
NT-3 growth factor receptor
CHEMBL5608
Ki 7.3 7.3 50.1 1
Aurora kinase B
CHEMBL2185
Ki 7.2 7.2 63.1 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 7.0 7.0 100.0 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 6.9 6.9 125.9 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 6.7 6.7 199.5 1
Ribosomal protein S6 kinase alpha-4
CHEMBL3125
Ki 6.7 6.7 199.5 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 6.6 6.6 251.2 1
Ribosomal protein S6 kinase alpha-5
CHEMBL4237
Ki 6.6 6.6 251.2 1
Aurora kinase A
CHEMBL4722
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 6.3 6.3 501.2 1
Focal adhesion kinase 1
CHEMBL2695
Ki 6.2 6.2 631.0 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 6.1 6.1 794.3 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 6.1 6.1 794.3 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 6.1 6.1 794.3 1
cAMP-dependent protein kinase catalytic subunit PRKX
CHEMBL5818
Ki 6.1 6.1 794.3 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 6.0 6.0 1000.0 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 6.0 6.0 1000.0 1
Cyclin-dependent kinase 19
CHEMBL6002
Ki 6.0 6.0 1000.0 1
MAP kinase-activated protein kinase 5
CHEMBL3094
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase Fes/Fps
CHEMBL5455
Ki 5.9 5.9 1258.9 1
Ephrin type-A receptor 2
CHEMBL2068
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 5.9 5.9 1258.9 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.8 5.8 1584.9 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 5.8 5.8 1584.9 1
Inhibitor of nuclear factor kappa-B kinase subunit beta
CHEMBL1991
Ki 5.8 5.8 1584.9 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 5.8 5.8 1584.9 1
Inhibitor of nuclear factor kappa-B kinase subunit alpha
CHEMBL3476
Ki 5.8 5.8 1584.9 1
SRSF protein kinase 1
CHEMBL4375
Ki 5.7 5.7 1995.3 1
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 5.6 5.6 2511.9 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 5.5 5.5 3162.3 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase BRSK1
CHEMBL5650
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
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 5.5 5.5 3162.3 1
Casein kinase I isoform gamma-2
CHEMBL2543
Ki 5.5 5.5 3162.3 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 5.5 5.5 3162.3 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 5.5 5.5 3162.3 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
Ki 5.4 5.4 3981.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 1 Ki = 3.162 nM 8.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 4 Ki = 31.62 nM 7.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
ALK tyrosine kinase receptor Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase receptor UFO Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
NT-3 growth factor receptor Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase FRK Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase receptor Ret Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 5 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase alpha-4 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase alpha-5 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mast/stem cell growth factor receptor Kit Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase TAO1 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Focal adhesion kinase 1 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase beta-1 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