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Compound Detail

CHEMBL5573123

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COc1ccc(Cc2nnc3ccc(-c4ccc5c(c4)C(=O)CCO5)nn23)cc1O

Basic Information

ChEMBL ID CHEMBL5573123
Phase Preclinical
Structure Type MOL
InChI Key MRPGPQKREZTBPU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
3.06
ALogP
8
HBA
1
HBD
98.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N4O4
MW 402.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.13 6.13 737.1 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

Data from ChEMBL 36 via Core Engine