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Compound Detail

CHEMBL5202957

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Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc(C(F)(F)F)c5)ccc4=O)cc3c2)cn1

Basic Information

ChEMBL ID CHEMBL5202957
Phase Preclinical
Structure Type MOL
InChI Key LTKCXDIYFSANRA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
5.12
ALogP
6
HBA
0
HBD
65.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20F3N5O
MW 475.47
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.98

Activity Summary

IC50 2 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.27 8.27 5.4 1
Hs746T
CHEMBL614579
IC50 6.95 6.95 112.0 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
36355693 10.1021/acs.jmedchem.2c00981 Hs746T 1

Data from ChEMBL 36 via Core Engine