Compound Detail
CHEMBL254613
PINOSTROBIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL254613 |
| Name | PINOSTROBIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORJDDOBAOGKRJV-AWEZNQCLSA-N |
5
Targets
11
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.11
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.05
EC50 4 meas.
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.05 | 4.78 | 8900.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.27 | 4.27 | 53500.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.07 | 4.07 | 84900.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.06 | 4.06 | 86700.0 | 1 |
| SK-BR-3 CHEMBL613834 | IC50 | 4.03 | 4.03 | 94300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining | 21354800 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining | 21354800 |
| NON-PROTEIN TARGET | IC50 | = | 53500.0 | nM | 4.27 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23743282 |
| MCF7 | IC50 | = | 84900.0 | nM | 4.07 | Cytotoxicity against human MCF7 cells after 72 hrs by WST-8 assay | 20219370 |
| PC-3 | IC50 | = | 86700.0 | nM | 4.06 | Cytotoxicity against human PC3 cells after 72 hrs by WST-8 assay | 20219370 |
| SK-BR-3 | IC50 | = | 94300.0 | nM | 4.03 | Cytotoxicity against human SK-BR-3 cells after 72 hrs by WST-8 assay | 20219370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16621533 | 10.1016/j.bmcl.2005.12.075 | Genome polyprotein | 4 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 12027739 | 10.1021/np010486c | NON-PROTEIN TARGET | 2 |
| 20219370 | 10.1016/j.bmcl.2010.02.068 | SK-BR-3 | 1 |
| 36731248 | 10.1016/j.bmc.2023.117187 | Pseudomonas aeruginosa | 1 |
| 20704331 | 10.1021/np100014j | MCF7 | 1 |
| 19299148 | 10.1016/j.bmc.2009.02.050 | Plasmodium falciparum | 1 |
| 20362442 | 10.1016/j.bmcl.2010.03.054 | NCI-H187 | 1 |
| 20362442 | 10.1016/j.bmcl.2010.03.054 | KB | 1 |
| 20307087 | 10.1021/np900772m | PANC-1 | 1 |
| 20219370 | 10.1016/j.bmcl.2010.02.068 | NON-PROTEIN TARGET | 1 |
| 20219370 | 10.1016/j.bmcl.2010.02.068 | PC-3 | 1 |
| 20219370 | 10.1016/j.bmcl.2010.02.068 | MCF7 | 1 |
| 12027739 | 10.1021/np010486c | HeLa | 1 |
| 12027739 | 10.1021/np010486c | A549 | 1 |
| 12027739 | 10.1021/np010486c | HT-1080 | 1 |
| 12444686 | 10.1021/np020249p | Unchecked | 1 |
| 12444686 | 10.1021/np020249p | ADMET | 1 |
| 12444686 | 10.1021/np020249p | Quinone oxidoreductase | 1 |
| 19307119 | 10.1016/j.bmcl.2009.03.017 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine