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Compound Detail

CHEMBL510112

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COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cn3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL510112
Phase Preclinical
Structure Type MOL
InChI Key KABWMLBFENPJRD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
4.50
ALogP
7
HBA
2
HBD
94.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N4O4S
MW 474.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.48

Activity Summary

Ki 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17964000 10.1016/j.ejmech.2007.08.011 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine