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Compound Detail

CHEMBL1823478

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O=C(Nc1cccc(CC(=O)N2CCC(c3cc(Cl)ccc3Cl)=N2)c1)OCCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1823478
Phase Preclinical
Structure Type MOL
InChI Key UQFDRYMBMUKMBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

519.4
MW (Da)
4.44
ALogP
6
HBA
1
HBD
83.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28Cl2N4O4
MW 519.43
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 2.5 nM 8.6 Inhibition of human c-MET 21641696

Literature References

PubMed DOI Target Context # Activities
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine