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Compound Detail

CHEMBL286762

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Cc1nnc2n1-c1sc(/C=C\c3ccc4c(c3)CCC4)cc1C(c1ccccc1Cl)=NC2

Basic Information

ChEMBL ID CHEMBL286762
Phase Preclinical
Structure Type MOL
InChI Key ZZUPIOGHILLCRA-BENRWUELSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

457.0
MW (Da)
6.30
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21ClN4S
MW 457.00
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.96 6.96 110.0 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