Compound Detail
CHEMBL455487
BASTADIN 4 Enter ChEMBL ID:
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O=C1N/C=C/c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N\O
Basic Information
| ChEMBL ID | CHEMBL455487 |
| Name | BASTADIN 4 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCBNAUHIFJRIQW-XDDRAWHZSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
1017.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
EC50 1 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.89 | 5.89 | 1280.0 | 1 |
| Ryanodine receptor 1 CHEMBL1846 | EC50 | 4.83 | 4.83 | 14700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 53.0 | nM | 7.28 | Antiproliferative activity against bFGF-treated HUVEC | - |
| HCT-116 | IC50 | = | 1280.0 | nM | 5.89 | Cytotoxicity against human HCT116 cells after 7 days by methylene blue staining | 20102170 |
| Ryanodine receptor 1 | EC50 | = | 14700.0 | nM | 4.83 | Displacement of [3H]ryanodine from RyR1 calcium channel in sarcoplasmic reticulu... | 12542356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2089117 | 10.1021/np50072a007 | L1210 | 1 |
| 8904842 | 10.1021/np960249n | Neisseria gonorrhoeae | 1 |
| 8904842 | 10.1021/np960249n | Candida albicans | 1 |
| 8904842 | 10.1021/np960249n | Cryptococcus neoformans | 1 |
| 8904842 | 10.1021/np960249n | Enterococcus faecalis | 1 |
| 8904842 | 10.1021/np960249n | Staphylococcus aureus | 1 |
| 12542356 | 10.1021/np020382h | Ryanodine receptor 1 | 1 |
| 20102170 | 10.1021/np9005986 | Trypanosoma brucei brucei | 1 |
| 20102170 | 10.1021/np9005986 | HCT-116 | 1 |
| - | 10.1039/C2MD20199B | HUVEC | 1 |
| - | 10.1039/C2MD20199B | Unchecked | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Sterol O-acyltransferase 2 | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Sterol O-acyltransferase 1 | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | ADMET | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine