Compound Detail
CHEMBL121187
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Basic Information
| ChEMBL ID | CHEMBL121187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMGVVZFMMCHQCE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.5
MW (Da)
1.21
ALogP
5
HBA
4
HBD
88.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | Ki | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | Ki | = | 86.0 | nM | 7.07 | 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