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Compound Detail

CHEMBL34796

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Cc1nnc2n1-c1sc(C#Cc3ccc4c(c3)CCO4)cc1C(c1ccccc1Cl)=NC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34796
Phase Preclinical
Structure Type MOL
InChI Key OHDKJLCMZRMSHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

457.0
MW (Da)
4.98
ALogP
6
HBA
0
HBD
52.3
PSA (Ų)
0.38
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 C25H17ClN4OS
MW 456.96
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.70

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
 IC50 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 420.0 nM 6.38 In vitro for platelet activating factor receptor antagonist activity in a bindin... 2016721

Literature References

PubMed DOI Target Context # Activities
2016721 10.1021/jm00108a031 Cavia porcellus 2
2016721 10.1021/jm00108a031 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine