Compound Detail
CHEMBL407238
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CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(C)=O)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
Basic Information
| ChEMBL ID | CHEMBL407238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZTHSNZEIQZMPB-HWUPBVMSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
848.1
MW (Da)
4.82
ALogP
13
HBA
3
HBD
195.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell CHEMBL614309 | EC50 | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell | EC50 | = | 64.0 | nM | 7.19 | Concentration required to reverse inhibition of T-cell proliferation, by measuri... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81248-8 | T-cell | 2 |
Data from ChEMBL 36 via Core Engine