Compound Detail
CHEMBL480488
SUBGLUTINOL B Enter ChEMBL ID:
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C=C1CC[C@H]2[C@]3(C)C[C@H](C=C(C)C)O[C@H]3CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
Basic Information
| ChEMBL ID | CHEMBL480488 |
| Name | SUBGLUTINOL B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXNPXUJAUIINIU-ZZJUZBICSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
6.02
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Lymphocyte CHEMBL612599 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Thymocyte CHEMBL613302 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lymphocyte | IC50 | = | 100.0 | nM | 7.0 | Immunosuppressive activity in lymphocytes by mixed lymphocyte reaction assay | 14987067 |
| Thymocyte | IC50 | = | 100.0 | nM | 7.0 | Immunosuppressive activity in thymocytes by thymocyte proliferation assay | 14987067 |
| NON-PROTEIN TARGET | IC50 | = | 100.0 | nM | 7.0 | Immunosuppressive activity in C57Bl/6 mouse lymphocytes assessed as inhibition o... | 24900866 |
| Thymocyte | IC50 | = | 100.0 | nM | 7.0 | Immunosuppressive activity in mouse thymocytes assessed as inhibition of IL-1-in... | 24900866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14987067 | 10.1021/np030397v | Lymphocyte | 1 |
| 14987067 | 10.1021/np030397v | Thymocyte | 1 |
| 24900866 | 10.1021/ml4004809 | NON-PROTEIN TARGET | 1 |
| 24900866 | 10.1021/ml4004809 | Thymocyte | 1 |
Data from ChEMBL 36 via Core Engine