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Compound Detail

CHEMBL1997909

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Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1

Basic Information

ChEMBL ID CHEMBL1997909
Phase Preclinical
Structure Type MOL
InChI Key GXKYSFQMTTZPGW-UHFFFAOYSA-N
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
6.75
ALogP
7
HBA
2
HBD
84.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H24N6OS
MW 516.63
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -1.97

Activity Summary

Ki 8 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 7.6 7.6 25.1 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 7.1 7.1 79.4 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 6.8 6.8 158.5 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 6.7 6.7 199.5 1
Insulin-like growth factor 1 receptor
CHEMBL1957
Ki 6.7 6.7 199.5 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 6.7 6.7 199.5 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 6.6 6.6 251.2 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 5.6 5.6 2511.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine