Compound Detail
CHEMBL516196
ARISTOPHENONE A Enter ChEMBL ID:
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CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL516196 |
| Name | ARISTOPHENONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWAKZDYMQXZEGP-UMJMCJBLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
7.33
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW480 CHEMBL612544 | IC50 | 4.48 | 4.48 | 33300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW480 | IC50 | = | 33300.0 | nM | 4.48 | Cytotoxicity against human SW480 cells after 72 hrs by MTT assay | 15787435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20681570 | 10.1021/np100156w | Unchecked | 4 |
| 15787435 | 10.1021/np0497595 | Radical scavenging activity | 1 |
| 15787435 | 10.1021/np0497595 | SW480 | 1 |
| 32791400 | 10.1016/j.ejmech.2020.112646 | HeLa | 1 |
| 32791400 | 10.1016/j.ejmech.2020.112646 | SGC-7901 | 1 |
| 32791400 | 10.1016/j.ejmech.2020.112646 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine