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Compound Detail

CHEMBL494793

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COc1ccc2c(OCc3nnc4ccc(-c5cccc(F)c5)nn34)ccnc2c1

Basic Information

ChEMBL ID CHEMBL494793
Phase Preclinical
Structure Type MOL
InChI Key WBVUSUBFBIAVDP-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
4.07
ALogP
7
HBA
0
HBD
74.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16FN5O2
MW 401.40
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.95

Activity Summary

IC50 3 meas. best 8.15
Ki 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.15 8.0 7.0 3
Hepatocyte growth factor receptor
CHEMBL3717
Ki 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18426196 10.1021/jm800043g Hepatocyte growth factor receptor 2
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine