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Compound Detail

CHEMBL5209084

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O=c1ccc(-c2ccccc2)nn1CCc1ccc2ncc(N3CCOCC3)cc2c1

Basic Information

ChEMBL ID CHEMBL5209084
Phase Preclinical
Structure Type MOL
InChI Key WXDZWCYHESLJBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
3.54
ALogP
6
HBA
0
HBD
60.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4O2
MW 412.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.38 7.38 41.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36355693 10.1021/acs.jmedchem.2c00981 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine