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Compound Detail

CHEMBL1986979

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Cc1cc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)c(F)c2)ccc1F

Basic Information

ChEMBL ID CHEMBL1986979
Phase Preclinical
Structure Type MOL
InChI Key SJMFZIGFOIPNPE-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
5.04
ALogP
3
HBA
4
HBD
95.8
PSA (Ų)
0.39
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 C21H17F2N5O
MW 393.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.43

Activity Summary

Ki 10 meas. best 10.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 10.2 10.2 0.1 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 9.5 9.5 0.3 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 9.1 9.1 0.8 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 9.1 9.1 0.8 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 8.8 8.8 1.6 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 8.5 8.5 3.2 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 6.7 6.7 199.5 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 6.7 6.7 199.5 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 6.6 6.6 251.2 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
Ki 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine