Compound Detail
CHEMBL2087208
EPIPACHYSAMINE E Enter ChEMBL ID:
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CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL2087208 |
| Name | EPIPACHYSAMINE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGEUOPIPYIANSI-BXTKZHJHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.7
MW (Da)
6.05
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of epithelial growth factor-induced cell migration of human MDA-MB-23... | 22804108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22804108 | 10.1021/np300207c | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine