Compound Detail
CHEMBL2087209
EPIPACHYSAMINE B Enter ChEMBL ID:
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C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5cccnc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C
Basic Information
| ChEMBL ID | CHEMBL2087209 |
| Name | EPIPACHYSAMINE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMILOBNADVQQTH-QECVUFATSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.7
MW (Da)
5.79
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 350.0 | nM | 6.46 | 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