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Compound Detail

CHEMBL2442136

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CC(Sc1cc(-c2ccc(N3CCN(C)CC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl

Basic Information

ChEMBL ID CHEMBL2442136
Phase Preclinical
Structure Type MOL
InChI Key SXLSTGYKBDBRNB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.4
MW (Da)
5.78
ALogP
6
HBA
1
HBD
58.3
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 C23H24Cl2FN5S
MW 492.45
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.58 7.58 26.5 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