Compound Detail
CHEMBL5407641
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Basic Information
| ChEMBL ID | CHEMBL5407641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMMYEOBLVCYURV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
4.57
ALogP
6
HBA
3
HBD
88.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 7.39 | 7.39 | 41.1 | 1 |
| A549 CHEMBL392 | IC50 | 6.52 | 6.52 | 299.4 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.19 | 6.19 | 644.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 41.1 | nM | 7.39 | Antiproliferative activity against human SK-OV-3 cells assessed as inhibition of... | 36621138 |
| A549 | IC50 | = | 299.4 | nM | 6.52 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 36621138 |
| MDA-MB-231 | IC50 | = | 644.5 | nM | 6.19 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 36621138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36621138 | 10.1016/j.ejmech.2022.115085 | SK-OV-3 | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | HepG2 | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | MDA-MB-231 | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | HeLa | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | B16-F10 | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | A549 | 1 |
Data from ChEMBL 36 via Core Engine