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Compound Detail

CHEMBL5589820

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O=C1CCOc2ccc(-c3ccc4nnc(Cc5ccc([N+](=O)[O-])cc5)n4n3)cc21

Basic Information

ChEMBL ID CHEMBL5589820
Phase Preclinical
Structure Type MOL
InChI Key COIUZPLLKVMXQX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
3.26
ALogP
8
HBA
0
HBD
112.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15N5O4
MW 401.38
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 5.49 5.49 3203.0 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

Data from ChEMBL 36 via Core Engine