Compound Detail
CHEMBL5403230
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Basic Information
| ChEMBL ID | CHEMBL5403230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYHLXZPBAIMPEH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.42
ALogP
5
HBA
0
HBD
32.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SNB-19 CHEMBL614164 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| TC-32 CHEMBL4296499 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.2 | 5.2 | 6320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SNB-19 | IC50 | = | 110.0 | nM | 6.96 | Anticancer activity against human SNB-19 cells assessed as reduction in cell gro... | 37060756 |
| TC-32 | IC50 | = | 540.0 | nM | 6.27 | Anticancer activity against human TC-32 cells assessed as reduction in cell grow... | 37060756 |
| MDA-MB-231 | IC50 | = | 6320.0 | nM | 5.2 | Anticancer activity against human MDA-MB-231 cells assessed as reduction in cell... | 37060756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37060756 | 10.1016/j.ejmech.2023.115337 | SNB-19 | 1 |
| 37060756 | 10.1016/j.ejmech.2023.115337 | TC-32 | 1 |
| 37060756 | 10.1016/j.ejmech.2023.115337 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine