Compound Detail
CHEMBL504527
ACUTOSIDE A Enter ChEMBL ID:
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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL504527 |
| Name | ACUTOSIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEQCLUFJRGKLOA-WLMDKFIXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
781.0
MW (Da)
2.88
ALogP
12
HBA
8
HBD
215.8
PSA (Ų)
0.14
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.99
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 10300.0 | nM | 4.99 | Cytotoxicity against human A375 cells after 72 hrs by sulforhodamine B assay | 23639650 |
| HL-60 | IC50 | = | 12500.0 | nM | 4.9 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 23639650 |
| A549 | IC50 | = | 15300.0 | nM | 4.82 | Cytotoxicity against human A549 cells after 72 hrs by sulforhodamine B assay | 23639650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087583 | 10.1021/np0000926 | Saccharomyces cerevisiae | 3 |
| 21314099 | 10.1021/np100702p | NON-PROTEIN TARGET | 2 |
| 11087583 | 10.1021/np0000926 | M109 | 1 |
| 21314099 | 10.1021/np100702p | B16-F10 | 1 |
| 21314099 | 10.1021/np100702p | SK-MEL-28 | 1 |
| 23639650 | 10.1016/j.ejmech.2013.04.016 | A-375 | 1 |
| 23639650 | 10.1016/j.ejmech.2013.04.016 | A549 | 1 |
| 23639650 | 10.1016/j.ejmech.2013.04.016 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine