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Compound Detail

CHEMBL5565165

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FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc4c(c3)OCCO4)nn12

Basic Information

ChEMBL ID CHEMBL5565165
Phase Preclinical
Structure Type MOL
InChI Key QIHDDFHFGLLIJQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
4.25
ALogP
7
HBA
0
HBD
74.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15F2N5O2
MW 431.40
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.65

Activity Summary

IC50 2 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.24 8.24 5.7 1
MHCC97H
CHEMBL4296470
IC50 7.43 7.43 37.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38086189 10.1016/j.ejmech.2023.116025 Hepatocyte growth factor receptor 1
38086189 10.1016/j.ejmech.2023.116025 MHCC97H 1

Data from ChEMBL 36 via Core Engine