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Compound Detail

CHEMBL33857

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Cc1nnc2n1-c1sc(C#Cc3ccc(C4CCCCC4)cc3)cc1C(c1ccccc1Cl)=NC2

Basic Information

ChEMBL ID CHEMBL33857
Phase Preclinical
Structure Type MOL
InChI Key WEIAFDKDBGHIJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

497.1
MW (Da)
7.09
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.28
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 C29H25ClN4S
MW 497.07
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.52 6.52 300.0 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