Compound Detail
CHEMBL258941
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Basic Information
| ChEMBL ID | CHEMBL258941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUMCERHGXNLDHB-UORFTKCHSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
-1.50
ALogP
9
HBA
3
HBD
116.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
EC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 4000.0 | nM | 5.4 | Cytostatic activity in human HL60 cells assessed as inhibition of cell growth af... | 18078757 |
| L1210 | IC50 | = | 5100.0 | nM | 5.29 | Cytostatic activity in mouse L1210 cells assessed as inhibition of cell growth a... | 18078757 |
| Hepatitis C virus | EC50 | = | 41000.0 | nM | 4.39 | 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 | L1210 | 1 |
| 18078757 | 10.1016/j.bmc.2007.11.067 | HL-60 | 1 |
| 18078757 | 10.1016/j.bmc.2007.11.067 | CCRF-CEM | 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