Compound Detail
CHEMBL425444
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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](OCC(=O)c4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
Basic Information
| ChEMBL ID | CHEMBL425444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTLOXXIJDGTSLA-CRNFUPJQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
910.1
MW (Da)
6.38
ALogP
13
HBA
2
HBD
184.4
PSA (Ų)
0.11
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 9.57 | 9.57 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 0.27 | nM | 9.57 | In vitro immunosuppressive activity in murine splenic T cells | 10450986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10450986 | 10.1016/s0960-894x(99)00335-2 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine