Compound Detail
CHEMBL274802
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CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](Oc4ccc(O)cc4)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
Basic Information
| ChEMBL ID | CHEMBL274802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIEUKLFTGCCYLZ-OBRKQIMXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
870.1
MW (Da)
5.61
ALogP
13
HBA
4
HBD
198.6
PSA (Ų)
0.15
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Murine T-cell line CHEMBL614766 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Murine T-cell line | IC50 | = | 0.9 | nM | 9.05 | Inhibition of proliferation of PMA and Ionomycin stimulated murine T cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00161-L | Murine T-cell line | 1 |
Data from ChEMBL 36 via Core Engine