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Compound Detail

CHEMBL4161526

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Cn1cc(-c2nn3c(Cc4ccc(OCC(=O)N5CCOCC5)cc4)nnc3s2)cn1

Basic Information

ChEMBL ID CHEMBL4161526
Phase Preclinical
Structure Type MOL
InChI Key VAZUWYPHXNRXPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
1.41
ALogP
10
HBA
0
HBD
99.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N7O3S
MW 439.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.60

Activity Summary

IC50 1 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 5.26 5.26 5490.0 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