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Compound Detail

CHEMBL2442128

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

Basic Information

ChEMBL ID CHEMBL2442128
Phase Preclinical
Structure Type MOL
InChI Key SNOMKOLVUXTIMK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.3
MW (Da)
5.36
ALogP
5
HBA
1
HBD
56.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15Cl2FN4S
MW 397.31
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 6.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.99 6.99 101.7 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