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Compound Detail

CHEMBL284079

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Cc1nnc2n1-c1sc(C#Cc3ccc(-c4ccccn4)s3)cc1C(c1ccccc1Cl)=NC2

Basic Information

ChEMBL ID CHEMBL284079
Phase Preclinical
Structure Type MOL
InChI Key YABUSIXMDKQDQO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

498.0
MW (Da)
6.16
ALogP
7
HBA
0
HBD
56.0
PSA (Ų)
0.27
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 C26H16ClN5S2
MW 498.04
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2016721 10.1021/jm00108a031 Cavia porcellus 3
2016721 10.1021/jm00108a031 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine