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Compound Detail

CHEMBL5180657

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O=c1ccc(-c2ccccc2)nn1CCc1ccc2ncccc2c1

Basic Information

ChEMBL ID CHEMBL5180657
Phase Preclinical
Structure Type MOL
InChI Key IJAKCDJSNJMCGU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.70
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O
MW 327.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 5.7 5.7 2000.0 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