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Compound Detail

CHEMBL5208277

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Cn1cc(-c2cnc3ccc(CCn4nc(-c5ccc(F)c(F)c5)ccc4=O)cc3c2)cn1

Basic Information

ChEMBL ID CHEMBL5208277
Phase Preclinical
Structure Type MOL
InChI Key UQQRNNVMLIYQAD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
4.38
ALogP
6
HBA
0
HBD
65.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19F2N5O
MW 443.46
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -2.14

Activity Summary

IC50 2 meas. best 7.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.88 7.88 13.2 1
Hs746T
CHEMBL614579
IC50 6.15 6.15 708.1 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