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Compound Detail

CHEMBL3334559

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Cn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1

Basic Information

ChEMBL ID CHEMBL3334559
Phase Preclinical
Structure Type MOL
InChI Key HBBALKBTOWSTGZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.28
ALogP
9
HBA
0
HBD
87.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N8S
MW 348.40
Aromatic Rings 5
Heavy Atoms 25
NP-Likeness -2.33

Activity Summary

IC50 1 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.71 6.71 194.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25148209 10.1021/jm500510f Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine