Compound Detail
CHEMBL215065
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Basic Information
| ChEMBL ID | CHEMBL215065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQSVPIHNHFNXNY-NTUHNPAUSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
1.40
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 4.49 | 4.49 | 32700.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 960.0 | nM | 6.02 | Antiproliferative activity against human HeLa cells after 72 hrs by sulforhodami... | 20353152 |
| LNCaP | IC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against human LnCaP cell line by MTT assay after 72 hrs | 17125278 |
| PC-3 | IC50 | = | 21000.0 | nM | 4.68 | Cytotoxicity against human PC3 cell line by MTT assay after 72 hrs | 17125278 |
| SGC-7901 | IC50 | = | 32700.0 | nM | 4.49 | Antiproliferative activity against human SGC7901 cells after 72 hrs by sulforhod... | 20353152 |
| Tyrosinase | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substr... | 21777998 |
| HT-29 | IC50 | = | 100000.0 | nM | 4.0 | Antiproliferative activity against human HT-29 cells after 72 hrs by sulforhodam... | 20353152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125278 | 10.1021/jm060712l | LNCaP | 4 |
| 17125278 | 10.1021/jm060712l | Proteasome Macropain subunit MB1 | 2 |
| 17125278 | 10.1021/jm060712l | Proteasome | 1 |
| 17125278 | 10.1021/jm060712l | PC-3 | 1 |
| 20353152 | 10.1021/jm9014394 | HT-29 | 1 |
| 20353152 | 10.1021/jm9014394 | HL-60 | 1 |
| 20353152 | 10.1021/jm9014394 | SGC-7901 | 1 |
| 20353152 | 10.1021/jm9014394 | HeLa | 1 |
| 20353152 | 10.1021/jm9014394 | DNA topoisomerase 2-alpha | 1 |
| 21777998 | 10.1016/j.ejmech.2011.07.003 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine