Compound Detail
CHEMBL5180723
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Basic Information
| ChEMBL ID | CHEMBL5180723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXVHVNKPDBZYAH-CPNJWEJPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.75
ALogP
6
HBA
1
HBD
67.8
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 2100.0 | nM | 5.68 | Antiproliferative activity against human A2780 cells incubated for 72 hrs by MTT... | 36105345 |
| MDA-MB-231 | IC50 | = | 12000.0 | nM | 4.92 | Antiproliferative activity against human MDA-MB-231 cells incubated for 72 hrs b... | 36105345 |
| MRC5 | IC50 | = | 12000.0 | nM | 4.92 | Antiproliferative activity against human MRC5 cells incubated for 72 hrs by MTT ... | 36105345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36105345 | 10.1021/acsmedchemlett.2c00250 | A2780 | 3 |
| 36105345 | 10.1021/acsmedchemlett.2c00250 | MDA-MB-231 | 2 |
| 36105345 | 10.1021/acsmedchemlett.2c00250 | Unchecked | 2 |
| 36105345 | 10.1021/acsmedchemlett.2c00250 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine