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Compound Detail

CHEMBL1824891

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CC(Oc1cc(-c2ccn[nH]2)cnc1N)c1c(Cl)ccc(F)c1Cl

Basic Information

ChEMBL ID CHEMBL1824891
Phase Preclinical
Structure Type MOL
InChI Key DROZDYQMLMYEQK-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.2
MW (Da)
4.64
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13Cl2FN4O
MW 367.21
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 6.22
Ki 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 6.46 6.46 348.0 1
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.22 6.22 597.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21812414 10.1021/jm2007613 Hepatocyte growth factor receptor 2

Data from ChEMBL 36 via Core Engine