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Compound Detail

CHEMBL326215

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CC1=NC(C)=C(C(=O)OCCSc2ccccc2)C(C)/C1=C(\O)OCC1CCCO1

Basic Information

ChEMBL ID CHEMBL326215
Phase Preclinical
Structure Type MOL
InChI Key DYVAJHXKMLPJCP-LNVKXUELSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.6
MW (Da)
4.67
ALogP
7
HBA
1
HBD
77.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO5S
MW 431.55
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.89

Activity Summary

Ki 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 5.68 5.68 2092.0 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