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Compound Detail

CHEMBL2442127

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CC(Sc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

Basic Information

ChEMBL ID CHEMBL2442127
Phase Preclinical
Structure Type MOL
InChI Key BGGQYOPSJKQYLC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
6.18
ALogP
6
HBA
1
HBD
66.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21Cl2FN4OS
MW 467.40
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 7.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.67 7.67 21.4 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