Compound Detail
CHEMBL1688549
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Basic Information
| ChEMBL ID | CHEMBL1688549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHXYOOWNQCXHIT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
5.05
ALogP
3
HBA
1
HBD
29.3
PSA (Ų)
0.79
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pleiotropic ABC efflux transporter of multiple drugs CHEMBL1697658 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pleiotropic ABC efflux transporter of multiple drugs | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae ... | 19188399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19188399 | 10.1128/aac.00956-08 | Pleiotropic ABC efflux transporter of multiple drugs | 2 |
| 19188399 | 10.1128/aac.00956-08 | Unchecked | 1 |
| 19188399 | 10.1128/aac.00956-08 | Snq2p | 1 |
| 21620536 | 10.1016/j.ejmech.2011.05.013 | Trichophyton mentagrophytes | 1 |
| 21620536 | 10.1016/j.ejmech.2011.05.013 | Saccharomyces cerevisiae | 1 |
Data from ChEMBL 36 via Core Engine