Compound Detail
CHEMBL4291109
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Basic Information
| ChEMBL ID | CHEMBL4291109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULAQHOCSJRKOLJ-SAPNQHFASA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.14
ALogP
2
HBA
1
HBD
55.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
EC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
| HOS-TE85 CHEMBL614038 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| MG-63 CHEMBL614347 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 1800.0 | nM | 5.75 | Antioxidant activity assessed as DPPH free radical scavenging after 10 mins by U... | 30108923 |
| HOS-TE85 | IC50 | = | 32000.0 | nM | 4.5 | Antiproliferative activity against human HOSTE85 cells after 3 days by MTT assay | 30108923 |
| MG-63 | IC50 | = | 77000.0 | nM | 4.11 | Antiproliferative activity against human MG63 cells after 3 days by MTT assay | 30108923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108923 | 10.1039/C7MD00537G | No relevant target | 6 |
| 30108923 | 10.1039/C7MD00537G | K562 | 1 |
| 30108923 | 10.1039/C7MD00537G | HOS-TE85 | 1 |
| 30108923 | 10.1039/C7MD00537G | MG-63 | 1 |
Data from ChEMBL 36 via Core Engine