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Compound Detail

CHEMBL1969483

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CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL1969483
Phase Preclinical
Structure Type MOL
InChI Key JPCWMTOYDYYXLS-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

630.8
MW (Da)
6.35
ALogP
10
HBA
2
HBD
99.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H34N8O2S
MW 630.78
Aromatic Rings 6
Heavy Atoms 46
NP-Likeness -1.99

Activity Summary

Ki 9 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 6.9 6.9 125.9 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 6.6 6.6 251.2 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 6.4 6.4 398.1 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 6.2 6.2 631.0 1
Insulin-like growth factor 1 receptor
CHEMBL1957
Ki 6.2 6.2 631.0 1
Fibroblast growth factor receptor 3
CHEMBL2742
Ki 6.1 6.1 794.3 1
Aurora kinase B
CHEMBL2185
Ki 5.9 5.9 1258.9 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine