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Compound Detail

CHEMBL1988075

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Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1

Basic Information

ChEMBL ID CHEMBL1988075
Phase Preclinical
Structure Type MOL
InChI Key LVECPYVAIBNSRV-UHFFFAOYSA-N
50
Targets
50
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
6.70
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20FN5OS
MW 469.55
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.44

Activity Summary

Ki 50 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 8.9 8.9 1.3 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 8.4 8.4 4.0 1
Aurora kinase B
CHEMBL2185
Ki 8.4 8.4 4.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 8.3 8.3 5.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 8.0 8.0 10.0 1
Tyrosine-protein kinase ABL1
CHEMBL1862
Ki 7.4 7.4 39.8 1
Aurora kinase A
CHEMBL4722
Ki 7.2 7.2 63.1 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 7.1 7.1 79.4 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 7.1 7.1 79.4 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 7.0 7.0 100.0 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 7.0 7.0 100.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 7.0 7.0 100.0 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 6.8 6.8 158.5 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase Nek2
CHEMBL3835
Ki 6.7 6.7 199.5 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.6 6.6 251.2 1
Homeodomain-interacting protein kinase 4
CHEMBL1075167
Ki 6.6 6.6 251.2 1
Misshapen-like kinase 1
CHEMBL5518
Ki 6.5 6.5 316.2 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 6.5 6.5 316.2 1
Hepatocyte growth factor receptor
CHEMBL3717
Ki 6.5 6.5 316.2 1
Tyrosine-protein kinase Fer
CHEMBL3982
Ki 6.5 6.5 316.2 1
NT-3 growth factor receptor
CHEMBL5608
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase FRK
CHEMBL4223
Ki 6.4 6.4 398.1 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 6.3 6.3 501.2 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 6.2 6.2 631.0 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 6.2 6.2 631.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 6.2 6.2 631.0 1
Focal adhesion kinase 1
CHEMBL2695
Ki 6.1 6.1 794.3 1
Casein kinase I isoform gamma-2
CHEMBL2543
Ki 6.0 6.0 1000.0 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 6.0 6.0 1000.0 1
Tyrosine-protein kinase Fes/Fps
CHEMBL5455
Ki 6.0 6.0 1000.0 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 5.9 5.9 1258.9 1
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 5.8 5.8 1584.9 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 5.8 5.8 1584.9 1
Tyrosine-protein kinase SYK
CHEMBL2599
Ki 5.8 5.8 1584.9 1
LIM domain kinase 1
CHEMBL3836
Ki 5.7 5.7 1995.3 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 5.7 5.7 1995.3 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 5.6 5.6 2511.9 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 5.6 5.6 2511.9 1
SRSF protein kinase 1
CHEMBL4375
Ki 5.5 5.5 3162.3 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase Nek4
CHEMBL5819
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 5.4 5.4 3981.1 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 5.3 5.3 5011.9 1
Mitogen-activated protein kinase kinase kinase 20
CHEMBL3886
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.2 5.2 6309.6 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 5.2 5.2 6309.6 1
Lymphokine-activated killer T-cell-originated protein kinase
CHEMBL4896
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 1 Ki = 1.259 nM 8.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 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 = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase ABL1 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lck Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 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... -
Mitogen-activated protein kinase kinase kinase kinase 2 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase receptor UFO Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 2 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK4 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lyn Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Nek2 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 = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 4 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Fer Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Hepatocyte growth factor receptor 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