Compound Detail
CHEMBL3215412
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CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3215412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWCLTFSGQKRODN-CHRHFRJDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
1.07
ALogP
8
HBA
6
HBD
165.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | EC50 | = | 10000.0 | nM | 5.0 | Effective concentration of compound against HIV-1 LAI strain in CEM-SS cells | 14698189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698189 | 10.1016/j.bmcl.2003.10.036 | CEM-SS | 2 |
| 14698189 | 10.1016/j.bmcl.2003.10.036 | MT4 | 2 |
| 14698189 | 10.1016/j.bmcl.2003.10.036 | PBMC | 2 |
| 14698189 | 10.1016/j.bmcl.2003.10.036 | GHOST CXCR4 | 1 |
| 14698189 | 10.1016/j.bmcl.2003.10.036 | GHOST CCR5 | 1 |
Data from ChEMBL 36 via Core Engine