Compound Detail
CHEMBL5438883
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Basic Information
| ChEMBL ID | CHEMBL5438883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDUGAZVYHUSGNG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
5.47
ALogP
6
HBA
3
HBD
88.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 6.91 | 6.91 | 122.1 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 6.76 | 6.76 | 171.6 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 6.06 | 6.06 | 863.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 122.1 | nM | 6.91 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 36621138 |
| B16-F10 | IC50 | = | 171.6 | nM | 6.76 | Antiproliferative activity against mouse B16-F10 cells assessed as inhibition of... | 36621138 |
| SK-OV-3 | IC50 | = | 863.6 | nM | 6.06 | Antiproliferative activity against human SK-OV-3 cells assessed as inhibition of... | 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