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Compound Detail

CHEMBL2007266

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Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCCn4cccc4)c4[nH]nc(N)c34)cc2)c1

Basic Information

ChEMBL ID CHEMBL2007266
Phase Preclinical
Structure Type MOL
InChI Key AYXVSCVVQIADBF-UHFFFAOYSA-N
13
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
6.17
ALogP
5
HBA
4
HBD
110.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27FN6O2
MW 498.56
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.48

Activity Summary

Ki 13 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
Ki 8.0 8.0 10.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 7.9 7.9 12.6 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 7.8 7.8 15.8 1
Cyclin-dependent kinase 8
CHEMBL5719
Ki 7.7 7.7 19.9 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 7.1 7.1 79.4 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
Ki 7.0 7.0 100.0 1
Aurora kinase B
CHEMBL2185
Ki 6.6 6.6 251.2 1
NT-3 growth factor receptor
CHEMBL5608
Ki 6.5 6.5 316.2 1
Leukocyte tyrosine kinase receptor
CHEMBL5627
Ki 6.4 6.4 398.1 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 6.3 6.3 501.2 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 5.9 5.9 1258.9 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 5.6 5.6 2511.9 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 12.59 nM 7.9 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... -
Cyclin-dependent kinase 8 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Platelet-derived growth factor receptor alpha Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
NT-3 growth factor receptor Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Leukocyte tyrosine kinase receptor Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase receptor Ret Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
BDNF/NT-3 growth factors receptor Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 1 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
ALK tyrosine kinase receptor Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine