Compound Detail
CHEMBL45514
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Basic Information
| ChEMBL ID | CHEMBL45514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPFJGOVUEVILJM-OWOJBTEDSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
-0.46
ALogP
6
HBA
4
HBD
110.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T47D CHEMBL614361 | Ki | 6.57 | 6.0233 | 270.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T47D | Ki | = | 270.0 | nM | 6.57 | Inhibition of [3H]putrescine transport by the compound was evaluated in T-47D hu... | 10397506 |
| T47D | Ki | = | 1600.0 | nM | 5.8 | Inhibition of [3H]spermine transport by the compound was evaluated in T-47D huma... | 10397506 |
| T47D | Ki | = | 2000.0 | nM | 5.7 | Inhibition of [3H]spermidine transport by the compound was evaluated in T-47D hu... | 10397506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10397506 | 10.1016/s0960-894x(99)00262-0 | T47D | 3 |
Data from ChEMBL 36 via Core Engine