Compound Detail
CHEMBL1688550
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Basic Information
| ChEMBL ID | CHEMBL1688550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIIRHITWHGRFQI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
4.03
ALogP
3
HBA
1
HBD
29.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pleiotropic ABC efflux transporter of multiple drugs CHEMBL1697658 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.06 | 5.06 | 8700.0 | 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 | = | 3100.0 | nM | 5.51 | Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae ... | 19188399 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 8700.0 | nM | 5.06 | Inhibition of PIM-1 (unknown origin) after 1 hr by HTRF assay | - |
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 | Snq2p | 1 |
| 19188399 | 10.1128/aac.00956-08 | Unchecked | 1 |
| - | 10.1039/C4MD00030G | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine