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Compound Detail

CHEMBL4167593

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COc1ccc2c(OCc3nnc4sc(-c5cscn5)nn34)ccnc2c1

Basic Information

ChEMBL ID CHEMBL4167593
Phase Preclinical
Structure Type MOL
InChI Key WFEBIAGFKUILTJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
3.45
ALogP
10
HBA
0
HBD
87.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N6O2S2
MW 396.46
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -2.07

Activity Summary

IC50 1 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.81 6.81 154.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29202410 10.1016/j.ejmech.2017.11.073 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine