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Compound Detail

CHEMBL2442139

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CC(Sc1cc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

Basic Information

ChEMBL ID CHEMBL2442139
Phase Preclinical
Structure Type MOL
InChI Key MATXBOHKVHFZKW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

536.5
MW (Da)
5.87
ALogP
6
HBA
1
HBD
77.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24Cl2FN3O3S
MW 536.46
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.3 7.3 50.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23993328 10.1016/j.bmc.2013.07.032 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine