Compound Detail
CHEMBL510730
BASTADIN 6 Enter ChEMBL ID:
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O=C1NCCc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N\O
Basic Information
| ChEMBL ID | CHEMBL510730 |
| Name | BASTADIN 6 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSOCBHDTRCSWRH-PJUICVFASA-N |
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1098.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| L5178Y CHEMBL614720 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 52.0 | nM | 7.28 | Antiproliferative activity against bFGF-treated HUVEC | - |
| L5178Y | IC50 | = | 1500.0 | nM | 5.82 | Cytotoxicity against mouse L5178Y cells assessed as inhibition of cell prolifera... | 23249297 |
| Aurora kinase A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of aurora-A (unknown origin) | 23249297 |
| Epidermal growth factor receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of EGFR (unknown origin) | 23249297 |
| Aurora kinase B | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of aurora-B (unknown origin) | 23249297 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of CDK4/cyclin-D1 (unknown origin) | 23249297 |
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of COT (unknown origin) | 23249297 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of FLT3 (unknown origin) | 23249297 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of ERBB2 (unknown origin) | 23249297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Unchecked | 9 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Sterol O-acyltransferase 1 | 2 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Sterol O-acyltransferase 2 | 2 |
| 23249297 | 10.1021/np300764u | Epidermal growth factor receptor | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | ADMET | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | CHO | 1 |
| - | 10.1039/C2MD20199B | Unchecked | 1 |
| - | 10.1039/C2MD20199B | HUVEC | 1 |
| 23249297 | 10.1021/np300764u | L5178Y | 1 |
| 23249297 | 10.1021/np300764u | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 23249297 | 10.1021/np300764u | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 8904842 | 10.1021/np960249n | Candida albicans | 1 |
| 23249297 | 10.1021/np300764u | Mitogen-activated protein kinase kinase kinase 8 | 1 |
| 23249297 | 10.1021/np300764u | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 23249297 | 10.1021/np300764u | Aurora kinase B | 1 |
| 23249297 | 10.1021/np300764u | Aurora kinase A | 1 |
| 20102170 | 10.1021/np9005986 | HCT-116 | 1 |
| 20102170 | 10.1021/np9005986 | Trypanosoma brucei brucei | 1 |
| 8904842 | 10.1021/np960249n | Staphylococcus aureus | 1 |
| 8904842 | 10.1021/np960249n | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine