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Compound Detail

CHEMBL5208989

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Cc1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1

Basic Information

ChEMBL ID CHEMBL5208989
Phase Preclinical
Structure Type MOL
InChI Key YLGHBVKZJSYIEL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
4.41
ALogP
6
HBA
0
HBD
65.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N5O
MW 421.50
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.86

Activity Summary

IC50 2 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.09 8.09 8.2 1
Hs746T
CHEMBL614579
IC50 6.55 6.55 280.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36355693 10.1021/acs.jmedchem.2c00981 Hepatocyte growth factor receptor 1
36355693 10.1021/acs.jmedchem.2c00981 Hs746T 1

Data from ChEMBL 36 via Core Engine