Compound Detail
CHEMBL112759
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Basic Information
| ChEMBL ID | CHEMBL112759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BURQHVSCJSJJNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.7
MW (Da)
2.25
ALogP
6
HBA
4
HBD
110.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T47D CHEMBL614361 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T47D | Ki | = | 2800.0 | nM | 5.55 | Inhibition of spermidine transport determined in T-47D human breast cancer cells | 12951106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951106 | 10.1016/s0960-894x(03)00668-1 | T47D | 1 |
Data from ChEMBL 36 via Core Engine