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Compound Detail

CHEMBL5570382

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O=C(CN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21)NO

Basic Information

ChEMBL ID CHEMBL5570382
Phase Preclinical
Structure Type MOL
InChI Key ZUWQAQBAFIOFGZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
2.71
ALogP
8
HBA
2
HBD
125.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21N7O3
MW 479.50
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.78

Activity Summary

IC50 2 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.47 8.47 3.4 1
MHCC97H
CHEMBL4296470
IC50 6.37 6.37 431.1 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