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Compound Detail

CHEMBL5598343

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COc1cc2nccc(Oc3ccc(Nc4nccc5ccn(-c6ccc(Br)cc6)c(=O)c45)cc3F)c2cc1OC

Basic Information

ChEMBL ID CHEMBL5598343
Phase Preclinical
Structure Type MOL
InChI Key ARHZYNVDTKIXEC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

613.4
MW (Da)
7.39
ALogP
8
HBA
1
HBD
87.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H22BrFN4O4
MW 613.44
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 7.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.86 7.86 13.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 13.8 nM 7.86 Inhibition of c-MET (unknown origin) 38733884

Literature References

PubMed DOI Target Context # Activities
38733884 10.1016/j.ejmech.2024.116477 Hepatocyte growth factor receptor 1
38733884 10.1016/j.ejmech.2024.116477 Tyrosine-protein kinase receptor UFO 1

Data from ChEMBL 36 via Core Engine