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Compound Detail

CHEMBL1994638

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Cc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)c(F)c2)c1

Basic Information

ChEMBL ID CHEMBL1994638
Phase Preclinical
Structure Type MOL
InChI Key QDOBTYVGPGFRCM-UHFFFAOYSA-N
11
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.90
ALogP
3
HBA
4
HBD
95.8
PSA (Ų)
0.41
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 C21H18FN5O
MW 375.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.42

Activity Summary

Ki 11 meas. best 9.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 9.9 9.9 0.1 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 9.1 9.1 0.8 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 9.0 9.0 1.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 9.0 9.0 1.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 8.8 8.8 1.6 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 8.1 8.1 7.9 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 6.3 6.3 501.2 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 6.3 6.3 501.2 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 6.3 6.3 501.2 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 6.2 6.2 631.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
Ki 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 1 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 = 0.7943 nM 9.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mast/stem cell growth factor receptor Kit Ki = 1.0 nM 9.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 1.0 nM 9.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 1.585 nM 8.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lyn Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lck Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Fyn Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Blk Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase Src Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine