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Compound Detail

CHEMBL5414779

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O=C(Nc1ccc(Oc2ccnc3c2CCN3)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O

Basic Information

ChEMBL ID CHEMBL5414779
Phase Preclinical
Structure Type MOL
InChI Key DGMFNZXEGKFREH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.4
MW (Da)
4.73
ALogP
5
HBA
3
HBD
96.1
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 C25H18F2N4O3
MW 460.44
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.91

Activity Summary

IC50 2 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.22 8.22 6.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35763868 10.1016/j.ejmech.2022.114561 Hepatocyte growth factor receptor 1
38714043 10.1016/j.ejmech.2024.116475 Tyrosine-protein kinase receptor UFO 1

Data from ChEMBL 36 via Core Engine