Compound Detail
CHEMBL483006
METHYLANGOLENSATE Enter ChEMBL ID:
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C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](CC(=O)OC)[C@]12C
Basic Information
| ChEMBL ID | CHEMBL483006 |
| Name | METHYLANGOLENSATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNMYHRYTRCKSMI-SQHTYAHXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.56
ALogP
7
HBA
0
HBD
92.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 4300.0 | nM | 5.37 | Antiviral activity against dengue virus 2 infected in human HuH7 cells after 72 ... | 25330401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908853 | 10.1021/np900640u | NON-PROTEIN TARGET | 2 |
| 19902967 | 10.1021/np900522h | Saccharomyces | 1 |
| 25330401 | 10.1021/np5002829 | Unchecked | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 12137465 | 10.1021/jf025534t | Spodoptera litura | 1 |
| - | 10.1016/S0040-4020(00)00994-7 | Spodoptera littoralis | 1 |
| 19908853 | 10.1021/np900640u | HepG2 | 1 |
| 19908853 | 10.1021/np900640u | BT-474 | 1 |
| 19908853 | 10.1021/np900640u | SW-620 | 1 |
| 19902967 | 10.1021/np900522h | Trichophyton rubrum | 1 |
| 19902967 | 10.1021/np900522h | Nannizzia gypsea | 1 |
| - | 10.1021/np960139g | Spodoptera frugiperda | 1 |
| 19902967 | 10.1021/np900522h | Candida albicans | 1 |
| 19902967 | 10.1021/np900522h | Bacillus subtilis | 1 |
| 19902967 | 10.1021/np900522h | Pseudomonas aeruginosa | 1 |
| 19902967 | 10.1021/np900522h | Shigella flexneri | 1 |
| 19902967 | 10.1021/np900522h | Escherichia coli | 1 |
| 19902967 | 10.1021/np900522h | Kocuria rhizophila | 1 |
| 19902967 | 10.1021/np900522h | Staphylococcus epidermidis | 1 |
| 19902967 | 10.1021/np900522h | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine