Compound Detail
CHEMBL565817
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CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H](C)[C@H](N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL565817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDZUITQPPRNQFX-SJBKTWHCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.31
ALogP
8
HBA
4
HBD
165.6
PSA (Ų)
0.09
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast cell CHEMBL613709 | EC50 | 7.7 | 7.55 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast cell | EC50 | = | 20.0 | nM | 7.7 | Induction of C57BL/6 mouse peritoneal mast cell degradation assessed as concanav... | 19743861 |
| Mast cell | EC50 | = | 40.0 | nM | 7.4 | Induction of Wistar rat peritoneal mast cell degradation assessed as concanavali... | 19743861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19743861 | 10.1021/jm900598m | Mast cell | 2 |
| 19743861 | 10.1021/jm900598m | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine