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Compound Detail

CHEMBL80165

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C1=C(c2cccs2)N2CCN=C2c2ccccc21

Basic Information

ChEMBL ID CHEMBL80165
Phase Preclinical
Structure Type MOL
InChI Key IGSMEDIYXRMEEB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
3.32
ALogP
3
HBA
0
HBD
15.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2S
MW 252.34
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 4.82 4.82 15200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7830265 10.1021/jm00002a004 Abelson 8.1 3
7830265 10.1021/jm00002a004 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine