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Compound Detail

CHEMBL293906

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CCN(CC)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293906
Phase Preclinical
Structure Type MOL
InChI Key JJCISVQVDBOJBQ-YMXDCFFPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.93
ALogP
6
HBA
1
HBD
67.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O2S
MW 408.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.91

Activity Summary

Ki 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 Ki 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 1.4 nM 8.85 Antagonist activity against platelet activating factor (PAF) receptor in rabbit ... 8027984

Literature References

PubMed DOI Target Context # Activities
8027984 10.1021/jm00039a015 Platelet-activating factor receptor 1
8027984 10.1021/jm00039a015 Mus musculus 1
8027984 10.1021/jm00039a015 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine