Compound Detail
CHEMBL1685067
STROBOPININ-7-METHYLETHER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1685067 |
| Name | STROBOPININ-7-METHYLETHER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJPLGHSVCRZIQU-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.42
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.31
EC50 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 5.43 | 5.17 | 3720.0 | 2 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.31 | 5.115 | 4900.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 3720.0 | nM | 5.43 | Antiviral activity against DENV2 infected in monkey LLC-MK2 cells assessed as re... | 31128447 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining | 21354800 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining | 21354800 |
| dengue virus type 2 | EC50 | = | 12310.0 | nM | 4.91 | Antiviral activity against DENV2 infected in African green monkey Vero cells ass... | 31128447 |
| Unchecked | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of P-gp expressed in A2780adr cells by calcein AM accumulation assay | 21354800 |
| ATP-dependent translocase ABCB1 | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow ... | 21354800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21354800 | 10.1016/j.bmc.2010.12.043 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | Unchecked | 2 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 2 | 2 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | MCF7 | 1 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | ATP-dependent translocase ABCB1 | 1 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine