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Compound Detail

CHEMBL283339

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Cc1nnc2n1-c1sc(C#CCOc3cccnc3)cc1C(c1ccccc1Cl)=NC2

Basic Information

ChEMBL ID CHEMBL283339
Phase Preclinical
Structure Type MOL
InChI Key WFBVGLAXUOJHIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
4.47
ALogP
7
HBA
0
HBD
65.2
PSA (Ų)
0.44
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 C23H16ClN5OS
MW 445.94
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2002463 10.1021/jm00107a048 Platelet-activating factor receptor 2
2002463 10.1021/jm00107a048 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine