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Compound Detail

CHEMBL273187

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Cc1cc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(N)c34)cc2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273187
Phase Preclinical
Structure Type MOL
InChI Key LYHDXABKNJMNEZ-UHFFFAOYSA-N
10
Targets
27
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.30
ALogP
4
HBA
4
HBD
108.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17FN6O
MW 376.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.44

Activity Summary

Ki 21 meas. best 10.0
IC50 6 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 Ki 10.0 10.0 0.1 2
Vascular endothelial growth factor receptor 3
CHEMBL1955
 Ki 9.9 9.9 0.1 2
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 Ki 9.7 9.7 0.2 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 Ki 9.6 9.6 0.3 2
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 Ki 9.5 9.5 0.3 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.96 8.94 1.1 6
Tyrosine-protein kinase Lck
CHEMBL258
 Ki 7.4 7.4 39.8 2
Tyrosine-protein kinase Blk
CHEMBL2250
 Ki 7.3 7.3 50.1 2
Tyrosine-protein kinase Lyn
CHEMBL3905
 Ki 7.2 7.2 63.1 2
Tyrosine-protein kinase Fyn
CHEMBL1841
 Ki 7.1 7.1 79.4 2
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 Ki 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 Ki = 0.1 nM 10.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 0.1 nM 10.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 0.1259 nM 9.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 0.1259 nM 9.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mast/stem cell growth factor receptor Kit Ki = 0.1995 nM 9.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mast/stem cell growth factor receptor Kit Ki = 0.1995 nM 9.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 0.2512 nM 9.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 0.2512 nM 9.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 0.3162 nM 9.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 0.3162 nM 9.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 IC50 = 1.1 nM 8.96 Inhibition of KDR kinase activity (unknown origin) -
Vascular endothelial growth factor receptor 2 IC50 = 1.1 nM 8.96 Inhibition of KDR kinase activity (unknown origin) -
Vascular endothelial growth factor receptor 2 IC50 = 1.1 nM 8.96 Inhibition of KDR by HTRF assay 18023347
Vascular endothelial growth factor receptor 2 IC50 = 1.2 nM 8.92 Inhibition of KDR (unknown origin) in cell-based assay -
Vascular endothelial growth factor receptor 2 IC50 = 1.2 nM 8.92 Inhibition of KDR (unknown origin) in cell-based assay -
Vascular endothelial growth factor receptor 2 IC50 = 1.2 nM 8.92 Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells 18023347
Tyrosine-protein kinase Lck Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lck Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Blk Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Blk Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9926-4 Vascular endothelial growth factor receptor 2 4
18023347 10.1016/j.bmcl.2007.10.018 Vascular endothelial growth factor receptor 2 2
18023347 10.1016/j.bmcl.2007.10.018 Mus musculus 1

Data from ChEMBL 36 via Core Engine