Compound Detail
CHEMBL2303755
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC
Basic Information
| ChEMBL ID | CHEMBL2303755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSCUNDOLFOXROO-FPFJYUFZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
844.2
MW (Da)
6.18
ALogP
10
HBA
8
HBD
224.0
PSA (Ų)
0.03
QED
3
Ro5 Violations
38
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P-selectin CHEMBL5378 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| E-selectin CHEMBL3890 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| L-selectin CHEMBL3161 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P-selectin | IC50 | = | 450.0 | nM | 6.35 | Inhibition of Selectin P binding | 9784103 |
| E-selectin | IC50 | = | 3500.0 | nM | 5.46 | Displacement of sialyl Lewis X (sLex) from selectin E | 9784103 |
| L-selectin | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Selectin L binding | 9784103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784103 | 10.1021/jm980267x | E-selectin | 1 |
| 9784103 | 10.1021/jm980267x | P-selectin | 1 |
| 9784103 | 10.1021/jm980267x | L-selectin | 1 |
Data from ChEMBL 36 via Core Engine