Compound Detail
CHEMBL2333164
BASTADIN 16 Enter ChEMBL ID:
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O=C1NCCc2ccc(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 | CHEMBL2333164 |
| Name | BASTADIN 16 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJMQODPAUXMBSS-DCRHPOARSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
1019.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| L5178Y CHEMBL614720 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of aurora-A (unknown origin) | 23249297 |
| Aurora kinase B | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of aurora-B (unknown origin) | 23249297 |
| L5178Y | IC50 | = | 1900.0 | nM | 5.72 | Cytotoxicity against mouse L5178Y cells assessed as inhibition of cell prolifera... | 23249297 |
| Epidermal growth factor receptor | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of EGFR (unknown origin) | 23249297 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of CDK4/cyclin-D1 (unknown origin) | 23249297 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of ERBB2 (unknown origin) | 23249297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Unchecked | 3 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Sterol O-acyltransferase 2 | 2 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | Sterol O-acyltransferase 1 | 2 |
| 23249297 | 10.1021/np300764u | Aurora kinase A | 1 |
| 23249297 | 10.1021/np300764u | Aurora kinase B | 1 |
| 23249297 | 10.1021/np300764u | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 23249297 | 10.1021/np300764u | Epidermal growth factor receptor | 1 |
| 23249297 | 10.1021/np300764u | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 23249297 | 10.1021/np300764u | L5178Y | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | CHO | 1 |
| 26403929 | 10.1016/j.bmcl.2015.09.024 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine