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Compound Detail

CHEMBL108295

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CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSC)C1CC

Basic Information

ChEMBL ID CHEMBL108295
Phase Preclinical
Structure Type MOL
InChI Key BMSHIZJEAPAOIW-FYWRMAATSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.47
ALogP
6
HBA
1
HBD
68.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25NO4S
MW 327.45
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.82

Activity Summary

Ki 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 6.0 6.0 1012.0 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