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Compound Detail

CHEMBL205372

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COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL205372
Phase Preclinical
Structure Type MOL
InChI Key BRXZUOJFGVQTAB-UHFFFAOYSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
5.10
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N3O4S
MW 473.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.12

Activity Summary

IC50 3 meas. best 8.7
Ki 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.7 8.7 2.0 1
Hepatocyte growth factor receptor
CHEMBL3717
Ki 8.7 8.7 2.0 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 7.55 7.55 28.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 6.7 6.7 202.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16570914 10.1021/jm0506423 Platelet-derived growth factor receptor alpha 1
16570914 10.1021/jm0506423 Mast/stem cell growth factor receptor Kit 1
17964000 10.1016/j.ejmech.2007.08.011 Hepatocyte growth factor receptor 1
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine