Compound Detail
CHEMBL123001
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Basic Information
| ChEMBL ID | CHEMBL123001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGIOXYRDNIHAAN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
1.13
ALogP
4
HBA
5
HBD
95.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | Ki | 6.58 | 6.58 | 262.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | Ki | = | 262.0 | nM | 6.58 | Inhibition of [3H]spermidine transport into MDA-MB-231 (human breast cancer) cel... | 11606128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11606128 | 10.1021/jm0101040 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine