Compound Detail
CHEMBL439151
BASTADIN 5 Enter ChEMBL ID:
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O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CCNC(=O)/C(=N\O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N/O
Basic Information
| ChEMBL ID | CHEMBL439151 |
| Name | BASTADIN 5 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXXAEQAYQWEARL-ATXSJROWSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
1019.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.7
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Ryanodine receptor 1 CHEMBL3288 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Ryanodine receptor 1 CHEMBL1846 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
| RyR1/FKBP12 CHEMBL4106135 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 62.0 | nM | 7.21 | Antiproliferative activity against bFGF-treated HUVEC | - |
| Ryanodine receptor 1 | EC50 | = | 2000.0 | nM | 5.7 | Displacement of [3H]ryanodine from Ry1R/FKBP12 receptor complex in rabbit sarcop... | 8988595 |
| RyR1/FKBP12 | EC50 | = | 2200.0 | nM | 5.66 | Agonist like activity at skeletal junction sarcoplasmic reticulum RyR1/FKBP12 co... | 16854055 |
| Ryanodine receptor 1 | EC50 | = | 2200.0 | nM | 5.66 | Binding affinity to RYR1 channels by calcium mobilization assay | 18851910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18851910 | 10.1016/j.bmcl.2008.09.080 | Unchecked | 2 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Unchecked | 1 |
| 16854055 | 10.1021/jm050708u | RyR1/FKBP12 | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | ADMET | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Sterol O-acyltransferase 1 | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Sterol O-acyltransferase 2 | 1 |
| - | 10.1039/C2MD20199B | Unchecked | 1 |
| - | 10.1039/C2MD20199B | HUVEC | 1 |
| 20102170 | 10.1021/np9005986 | HCT-116 | 1 |
| 20102170 | 10.1021/np9005986 | Trypanosoma brucei brucei | 1 |
| 12542356 | 10.1021/np020382h | Ryanodine receptor 1 | 1 |
| 8988595 | 10.1021/np960507g | Ryanodine receptor 1 | 1 |
| 8904842 | 10.1021/np960249n | Staphylococcus aureus | 1 |
| 8904842 | 10.1021/np960249n | Enterococcus faecalis | 1 |
| 8904842 | 10.1021/np960249n | Cryptococcus neoformans | 1 |
| 8904842 | 10.1021/np960249n | Candida albicans | 1 |
| 8904842 | 10.1021/np960249n | Neisseria gonorrhoeae | 1 |
| 18851910 | 10.1016/j.bmcl.2008.09.080 | Ryanodine receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine