Compound Detail
CHEMBL5204316
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Basic Information
| ChEMBL ID | CHEMBL5204316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARAYHOGVDWLVSK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
5.22
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HOS-TE85 CHEMBL614038 | IC50 | 7.8 | 7.8 | 15.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HOS-TE85 | IC50 | = | 15.9 | nM | 7.8 | Antiproliferative activity against human MNNG/HOS cells assessed as cell growth ... | 34861640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34861640 | 10.1016/j.ejmech.2021.114010 | HOS-TE85 | 2 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | SJSA-1 | 1 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | U2OS | 1 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | HOS | 1 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | MG-63 | 1 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | 143B | 1 |
Data from ChEMBL 36 via Core Engine