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Compound Detail

CHEMBL286217

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C#Cc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL286217
Phase Preclinical
Structure Type MOL
InChI Key GNNCDOBXOJMAGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.8
MW (Da)
3.62
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.64
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 C17H11ClN4S
MW 338.82
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.70

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

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