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Compound Detail

CHEMBL61627

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CC1CSC2=C1c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C

Basic Information

ChEMBL ID CHEMBL61627
Phase Preclinical
Structure Type MOL
InChI Key CDHDXFFFAFVYKB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
6.92
ALogP
3
HBA
1
HBD
29.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29FO2S
MW 412.57
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.44

Activity Summary

Ki 1 meas. best 4.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 4.36 4.36 43750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
817021 10.1021/jm00226a003 Rattus norvegicus 3
817021 10.1021/jm00226a003 Mus musculus 3
817021 10.1021/jm00226a003 Felis catus 2
1317924 10.1021/jm00089a016 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine