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Compound Detail

CHEMBL17935

PLATELET ACTIVATING FACTOR
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CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL17935
Name PLATELET ACTIVATING FACTOR
Phase Preclinical
Structure Type MOL
InChI Key HVAUUPRFYPCOCA-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

523.7
MW (Da)
5.62
ALogP
7
HBA
0
HBD
94.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H54NO7P
MW 523.69
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 0.64

Activity Summary

EC50 6 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
 EC50 9.7 8.085 0.2 4
Rattus norvegicus
CHEMBL376
 EC50 5.65 5.65 2220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus EC50 = 0.2 nM 9.7 Compound was tested in vitro for its ability to aggregate washed rabbit platelet... 3572968
Oryctolagus cuniculus EC50 = 19.4 nM 7.71 Effective concentration required to produce 50% of the maximum platelet aggregat... 4032422
Oryctolagus cuniculus EC50 = 26.5 nM 7.58 Compound was evaluated in rabbit-platelet rich plasma (PRP) for the molar concen... 3806583
Oryctolagus cuniculus EC50 = 45.0 nM 7.35 Compound was tested in vitro for its ability to aggregate platelet-rich plasma (... 3572968
Rattus norvegicus EC50 = 2220.0 nM 5.65 Tested for the molar concentration required to cause 50% of maximum aggregation 6471071

Literature References

PubMed DOI Target Context # Activities
3761300 10.1021/jm00160a002 Rattus norvegicus 4
4038418 10.1021/jm00379a015 Homo sapiens 3
3572968 10.1021/jm00388a008 Oryctolagus cuniculus 3
6471071 10.1021/jm00375a016 Rattus norvegicus 2
3950913 10.1021/jm00153a005 Oryctolagus cuniculus 2
12387747 10.1006/taap.2002.9461 ATP-dependent translocase ABCB1 2
4032422 10.1021/jm00147a010 Oryctolagus cuniculus 2
3806583 10.1021/jm00157a038 Oryctolagus cuniculus 2
3572968 10.1021/jm00388a008 Cavia porcellus 2
3806583 10.1021/jm00157a038 Rattus norvegicus 1
3806583 10.1021/jm00157a038 Unchecked 1
2724301 10.1021/jm00126a029 Cavia porcellus 1
6471071 10.1021/jm00375a016 Oryctolagus cuniculus 1
6471071 10.1021/jm00375a016 Unchecked 1
4032438 10.1021/jm00147a045 Oryctolagus cuniculus 1
4032438 10.1021/jm00147a045 Rattus norvegicus 1
4032422 10.1021/jm00147a010 Rattus norvegicus 1
4032422 10.1021/jm00147a010 Unchecked 1
3572968 10.1021/jm00388a008 Rattus norvegicus 1
3761300 10.1021/jm00160a002 Unchecked 1

Data from ChEMBL 36 via Core Engine