Compound Detail
CHEMBL423846
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Basic Information
| ChEMBL ID | CHEMBL423846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBRWYWSPZSYBRA-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
1.47
ALogP
6
HBA
4
HBD
110.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.62
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ZR-75-1 | Ki | = | 240.0 | nM | 6.62 | Inhibition of [3H]spermine transport by the compound was evaluated in ZR-75-1 hu... | 10397506 |
| T47D | Ki | = | 280.0 | nM | 6.55 | Inhibition of [3H]putrescine transport by the compound was evaluated in T-47D hu... | 10397506 |
| T47D | Ki | = | 2000.0 | nM | 5.7 | Inhibition of [3H]spermidine transport by the compound was evaluated in T-47D hu... | 10397506 |
| T47D | Ki | = | 2000.0 | nM | 5.7 | Inhibition of spermidine transport determined in T-47D human breast cancer cells | 12951106 |
| T47D | Ki | = | 2900.0 | nM | 5.54 | Inhibition of [3H]spermine transport by the compound was evaluated in T-47D huma... | 10397506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10397506 | 10.1016/s0960-894x(99)00262-0 | T47D | 3 |
| 10397506 | 10.1016/s0960-894x(99)00262-0 | ZR-75-1 | 1 |
| 12951106 | 10.1016/s0960-894x(03)00668-1 | T47D | 1 |
Data from ChEMBL 36 via Core Engine