Compound Detail
CHEMBL1095219
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Basic Information
| ChEMBL ID | CHEMBL1095219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEEHGZFDYGBTEN-IINYFYTJSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
362.2
MW (Da)
3.41
ALogP
4
HBA
0
HBD
92.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.84 | 5.84 | 1430.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| SF-295 CHEMBL614908 | IC50 | 5.71 | 5.71 | 1930.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 5.68 | 5.565 | 2100.0 | 2 |
| HCT-8 CHEMBL613510 | IC50 | 5.62 | 5.62 | 2420.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 1430.0 | nM | 5.84 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 21115213 |
| MDA-MB-435 | IC50 | = | 1540.0 | nM | 5.81 | Cytotoxicity against human MDA-MB-435 cells after 72 hrs by MTT assay | 21115213 |
| SF-295 | IC50 | = | 1930.0 | nM | 5.71 | Cytotoxicity against human SF295 cells after 72 hrs by MTT assay | 21115213 |
| PBMC | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human PBMC after 72 hrs by alamar blue assay | 20378360 |
| HCT-8 | IC50 | = | 2420.0 | nM | 5.62 | Cytotoxicity against human HCT8 cells after 72 hrs by MTT assay | 21115213 |
| PBMC | IC50 | = | 3580.0 | nM | 5.45 | Cytotoxicity against human PBMC cells after 72 hrs by Alamar Blue assay | 21115213 |
| Trypanosoma cruzi | IC50 | = | 23400.0 | nM | 4.63 | Antitrypanosomal activity against Trypanosoma cruzi Y blood stream trypomastigot... | 20378360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20378360 | 10.1016/j.bmc.2010.03.029 | Trypanosoma cruzi | 1 |
| 20378360 | 10.1016/j.bmc.2010.03.029 | PBMC | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | PBMC | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | HL-60 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | MDA-MB-435 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | HCT-8 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | SF-295 | 1 |
Data from ChEMBL 36 via Core Engine