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Compound Detail

CHEMBL416745

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COCCOCCOCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL416745
Phase Preclinical
Structure Type MOL
InChI Key QDROKTUYVZBIFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

529.6
MW (Da)
2.16
ALogP
10
HBA
0
HBD
121.8
PSA (Ų)
0.08
QED
1
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H48NO10P
MW 529.61
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 0.47

Activity Summary

EC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
 EC50 5.28 5.28 5300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus EC50 = 5300.0 nM 5.28 Compound was evaluated in rabbit-platelet rich plasma (PRP) for the molar concen... 3806583

Literature References

PubMed DOI Target Context # Activities
3806583 10.1021/jm00157a038 Oryctolagus cuniculus 2
3572968 10.1021/jm00388a008 Oryctolagus cuniculus 1
3806583 10.1021/jm00157a038 Rattus norvegicus 1
3806583 10.1021/jm00157a038 Unchecked 1

Data from ChEMBL 36 via Core Engine