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Compound Detail

CHEMBL283162

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Cc1nnc2n1-c1sc(C#CCn3ncc4ccccc43)cc1C(c1ccccc1Cl)=NC2

Basic Information

ChEMBL ID CHEMBL283162
Phase Preclinical
Structure Type MOL
InChI Key PDZXTRAXZJXJIC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.0
MW (Da)
5.04
ALogP
7
HBA
0
HBD
60.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17ClN6S
MW 468.97
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 9.0 9.0 1.0 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