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Compound Detail

CHEMBL4764695

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Oc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1

Basic Information

ChEMBL ID CHEMBL4764695
Phase Preclinical
Structure Type MOL
InChI Key WVBGRKCXHSEQHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.15
ALogP
6
HBA
1
HBD
63.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N4OS
MW 308.37
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.68

Activity Summary

Ki 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34141080 10.1021/acsmedchemlett.1c00094 Hepatocyte growth factor receptor 2
34141080 10.1021/acsmedchemlett.1c00094 ADMET 2

Data from ChEMBL 36 via Core Engine