Compound Detail
CHEMBL2375485
STELLERARIN Enter ChEMBL ID:
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CCCCCCCCCC(=O)O[C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C
Basic Information
| ChEMBL ID | CHEMBL2375485 |
| Name | STELLERARIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDQHHGQIEDEXPF-DQPUDTEZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
622.8
MW (Da)
5.49
ALogP
8
HBA
3
HBD
130.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.13
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.13 | 9.13 | 0.7 | 1 |
| MT4 CHEMBL388 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.74 | nM | 9.13 | Antiviral activity against HIV1 in human TZM-bl cells transfected with firefly l... | 35113551 |
| MT4 | IC50 | = | 5100.0 | nM | 5.29 | Cytotoxicity against human MT4 cells by CellTitre-Glo luminescent assay | 23611151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23611151 | 10.1021/np300815t | MT4 | 1 |
| 23611151 | 10.1021/np300815t | Human immunodeficiency virus 1 | 1 |
| 35113551 | 10.1021/acs.jmedchem.1c01973 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine