Compound Detail
CHEMBL261135
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Basic Information
| ChEMBL ID | CHEMBL261135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQEAXLXNTITXJN-UORFTKCHSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
-2.42
ALogP
10
HBA
5
HBD
154.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.18
EC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.18 | 5.06 | 6600.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 4.99 | 4.87 | 10300.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 6600.0 | nM | 5.18 | Cytostatic activity in human HL60 cells assessed as inhibition of cell growth af... | 18078757 |
| CCRF-CEM | IC50 | = | 10300.0 | nM | 4.99 | Cytostatic activity in human CCRF-CEM cells assessed as inhibition of cell growt... | 18078757 |
| HL-60 | IC50 | = | 11400.0 | nM | 4.94 | Cytostatic activity in human HL60 cells assessed as inhibition of cell growth af... | 18078757 |
| CCRF-CEM | IC50 | = | 18000.0 | nM | 4.75 | Cytostatic activity in human CCRF-CEM cells assessed as inhibition of cell growt... | 18078757 |
| Hepatitis C virus | EC50 | = | 65000.0 | nM | 4.19 | Antiviral activity against Hepatitis C virus 1b after 3 days | 18078757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18078757 | 10.1016/j.bmc.2007.11.067 | HL-60 | 2 |
| 18078757 | 10.1016/j.bmc.2007.11.067 | CCRF-CEM | 2 |
| 18078757 | 10.1016/j.bmc.2007.11.067 | L1210 | 1 |
| 18078757 | 10.1016/j.bmc.2007.11.067 | Hepatitis C virus | 1 |
| 18078757 | 10.1016/j.bmc.2007.11.067 | NON-PROTEIN TARGET | 1 |
| 18078757 | 10.1016/j.bmc.2007.11.067 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine