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Compound Detail

CHEMBL5571675

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COc1c(F)ccc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c1F

Basic Information

ChEMBL ID CHEMBL5571675
Phase Preclinical
Structure Type MOL
InChI Key KYQAMWKZYANUDF-UHFFFAOYSA-N
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
3.27
ALogP
7
HBA
3
HBD
105.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F2N5O3S
MW 447.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.26

Activity Summary

EC50 6 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ephrin type-A receptor 4
CHEMBL3988
EC50 6.72 6.72 190.0 1
Ephrin type-A receptor 2
CHEMBL2068
EC50 6.6 6.6 250.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
EC50 6.33 6.33 470.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
EC50 5.96 5.96 1100.0 1
dengue virus type 2
CHEMBL613966
EC50 5.75 5.75 1800.0 1
Tyrosine-protein kinase ABL1
CHEMBL1862
EC50 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39028937 10.1021/acs.jmedchem.4c00411 Ephrin type-A receptor 2 2
39028937 10.1021/acs.jmedchem.4c00411 Ephrin type-A receptor 4 2
39028937 10.1021/acs.jmedchem.4c00411 Fibroblast growth factor receptor 1 2
39028937 10.1021/acs.jmedchem.4c00411 Vascular endothelial growth factor receptor 1 2
39028937 10.1021/acs.jmedchem.4c00411 Cyclin-G-associated kinase 2
39028937 10.1021/acs.jmedchem.4c00411 dengue virus type 2 2
39028937 10.1021/acs.jmedchem.4c00411 Ephrin type-A receptor 5 1
39028937 10.1021/acs.jmedchem.4c00411 Ephrin type-A receptor 7 1
39028937 10.1021/acs.jmedchem.4c00411 Ephrin type-B receptor 1 1
39028937 10.1021/acs.jmedchem.4c00411 Ephrin type-B receptor 3 1
39028937 10.1021/acs.jmedchem.4c00411 Fibroblast growth factor receptor 2 1
39028937 10.1021/acs.jmedchem.4c00411 Tyrosine-protein kinase ABL1 1
39028937 10.1021/acs.jmedchem.4c00411 Huh-7 1

Data from ChEMBL 36 via Core Engine