Compound Detail
CHEMBL5641808
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Basic Information
| ChEMBL ID | CHEMBL5641808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTQAEEDZEBBNAW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
5.10
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| HT-1080 CHEMBL614580 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 100.0 | nM | 7.0 | Cytotoxicity against human A-431 cells assessed as inhibition of cell growth inc... | 37729693 |
| MDA-MB-231 | IC50 | = | 270.0 | nM | 6.57 | Cytotoxicity against human MDA-MB-231 cells assessed as inhibition of cell growt... | 37729693 |
| HT-1080 | IC50 | = | 520.0 | nM | 6.28 | Cytotoxicity against human HT-1080 cells assessed as inhibition of cell growth i... | 37729693 |
| MCF7 | IC50 | = | 640.0 | nM | 6.19 | Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth incu... | 37729693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37729693 | 10.1016/j.ejmech.2023.115804 | A-431 | 5 |
| 37729693 | 10.1016/j.ejmech.2023.115804 | HT-1080 | 1 |
| 37729693 | 10.1016/j.ejmech.2023.115804 | MCF7 | 1 |
| 37729693 | 10.1016/j.ejmech.2023.115804 | MDA-MB-231 | 1 |
| 37729693 | 10.1016/j.ejmech.2023.115804 | AG1523 | 1 |
Data from ChEMBL 36 via Core Engine