Compound Detail
CHEMBL2087201
TERMINAMINE C Enter ChEMBL ID:
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CC(=O)O[C@@H]1C[C@H](N2C[C@H](C(C)C)C2=O)[C@H](O)[C@@H]2CC[C@@H]3[C@H]([C@H](OC(=O)CC(C)C)C[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@@H]34)[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL2087201 |
| Name | TERMINAMINE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUPKERYLYKAVRS-KIYBVETFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
632.9
MW (Da)
4.13
ALogP
8
HBA
2
HBD
116.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 80.0 | nM | 7.1 | 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