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Compound Detail

CHEMBL32767

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CCCCc1ccc(C#Cc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32767
Phase Preclinical
Structure Type MOL
InChI Key XVNOSGFCQKRTAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.0
MW (Da)
6.38
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23ClN4S
MW 471.03
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
 IC50 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 650.0 nM 6.19 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