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Compound Detail

CHEMBL4168774

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CN(C)C(=O)COc1ccc(Cc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1

Basic Information

ChEMBL ID CHEMBL4168774
Phase Preclinical
Structure Type MOL
InChI Key QUDMQNDHONHCJK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
3.39
ALogP
7
HBA
1
HBD
88.4
PSA (Ų)
0.44
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 C22H20N6O2S
MW 432.51
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 5.19 5.19 6510.0 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