Compound Detail
CHEMBL230241
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Basic Information
| ChEMBL ID | CHEMBL230241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLVDUKBUUBWTQG-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
5.81
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
EC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.44 | 4.44 | 36500.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.26 | 4.26 | 55400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 11000.0 | nM | 4.96 | Cytotoxicity against human CEM cells | 17587572 |
| Vero | IC50 | = | 12500.0 | nM | 4.9 | Cytotoxicity against Vero cells | 17587572 |
| Human immunodeficiency virus 1 | EC50 | = | 36500.0 | nM | 4.44 | Antiviral activity against HIV1 in human PBM cells | 17587572 |
| ADMET | IC50 | = | 55400.0 | nM | 4.26 | Cytotoxicity against human PBM cells | 17587572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17587572 | 10.1016/j.bmcl.2007.06.024 | SVR | 2 |
| 17587572 | 10.1016/j.bmcl.2007.06.024 | Human immunodeficiency virus 1 | 2 |
| 17587572 | 10.1016/j.bmcl.2007.06.024 | ADMET | 1 |
| 17587572 | 10.1016/j.bmcl.2007.06.024 | CCRF-CEM | 1 |
| 17587572 | 10.1016/j.bmcl.2007.06.024 | Vero | 1 |
| 31278004 | 10.1016/j.bmc.2019.06.042 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine