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Compound Detail

CHEMBL460774

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COc1cc2nccc(Oc3ccc4cc(NC(=O)Cc5ccccc5)ccc4c3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL460774
Phase Preclinical
Structure Type MOL
InChI Key DGLTXEQNNUCPHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
6.38
ALogP
5
HBA
1
HBD
69.7
PSA (Ų)
0.30
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 C29H24N2O4
MW 464.52
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.82

Activity Summary

Ki 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 7.05 7.05 89.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor Ki = 89.0 nM 7.05 Inhibition of cMet by HTRF assay 18763753

Literature References

PubMed DOI Target Context # Activities
18763753 10.1021/jm8006189 Unchecked 2
18763753 10.1021/jm8006189 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine