Compound Detail
CHEMBL5200730
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Basic Information
| ChEMBL ID | CHEMBL5200730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEQPDBNBGFREKB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.7
MW (Da)
3.53
ALogP
8
HBA
0
HBD
50.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HFF-1 CHEMBL4296427 | IC50 | 5.4 | 5.4 | 3980.0 | 1 |
| SNB-19 CHEMBL614164 | IC50 | 5.33 | 5.33 | 4640.0 | 1 |
| C32 CHEMBL1075401 | IC50 | 5.19 | 5.19 | 6390.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.13 | 5.13 | 7350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HFF-1 | IC50 | = | 3980.0 | nM | 5.4 | Cytotoxicity against HFF-1 cells measured after 72 hrs by WST-1 assay | 35344904 |
| SNB-19 | IC50 | = | 4640.0 | nM | 5.33 | Antiproliferative activity against human SNB-19 cells measured after 72 hrs by W... | 35344904 |
| C32 | IC50 | = | 6390.0 | nM | 5.19 | Antiproliferative activity against human C32 cells measured after 72 hrs by WST-... | 35344904 |
| MDA-MB-231 | IC50 | = | 7350.0 | nM | 5.13 | Antiproliferative activity against human MDA-MB-231 cells measured after 72 hrs ... | 35344904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35344904 | 10.1016/j.ejmech.2022.114303 | SNB-19 | 1 |
| 35344904 | 10.1016/j.ejmech.2022.114303 | MDA-MB-231 | 1 |
| 35344904 | 10.1016/j.ejmech.2022.114303 | HFF-1 | 1 |
| 35344904 | 10.1016/j.ejmech.2022.114303 | C32 | 1 |
Data from ChEMBL 36 via Core Engine