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Compound Detail

CHEMBL4743756

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Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1Cl

Basic Information

ChEMBL ID CHEMBL4743756
Phase Preclinical
Structure Type MOL
InChI Key WUCROGHORREYJQ-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.3
MW (Da)
4.53
ALogP
7
HBA
2
HBD
75.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11Cl2N5OS
MW 392.27
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.11

Activity Summary

IC50 1 meas. best 6.1
Ki 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 7.3 7.3 50.0 1
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.1 6.1 800.0 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 1

Data from ChEMBL 36 via Core Engine