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Compound Detail

CHEMBL5573884

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c1cnc2ccc(Cc3nnc4ccc(-c5ccc6c(c5)OCCO6)nn34)cc2c1

Basic Information

ChEMBL ID CHEMBL5573884
Phase Preclinical
Structure Type MOL
InChI Key HKXOAKRRTZOQFN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
3.70
ALogP
7
HBA
0
HBD
74.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N5O2
MW 395.42
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.71

Activity Summary

IC50 2 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MHCC97H
CHEMBL4296470
IC50 8.09 8.09 8.1 1
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.0 8.0 10.0 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