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Compound Detail

CHEMBL321486

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CCSCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1C

Basic Information

ChEMBL ID CHEMBL321486
Phase Preclinical
Structure Type MOL
InChI Key RRQGVOOANPFLIX-SQFISAMPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.08
ALogP
6
HBA
1
HBD
68.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23NO4S
MW 313.42
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness -0.98

Activity Summary

Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 6.3 6.3 505.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2175357 10.1021/jm00174a017 Platelet-activating factor receptor 3
2175357 10.1021/jm00174a017 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine