Compound Detail
CHEMBL377233
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Basic Information
| ChEMBL ID | CHEMBL377233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVROLNZTLHGLKZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
3.46
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8800.0 | nM | 5.06 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 21940072 |
| Human immunodeficiency virus | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of HIV replication by recombinant virus assay | 16713260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16513345 | 10.1016/j.bmcl.2006.02.003 | Alpha-1D adrenergic receptor | 4 |
| 16513345 | 10.1016/j.bmcl.2006.02.003 | Alpha-1A adrenergic receptor | 4 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Human immunodeficiency virus | 2 |
| 21940072 | 10.1016/j.ejmech.2011.08.043 | Plasmodium falciparum | 2 |
| 16513345 | 10.1016/j.bmcl.2006.02.003 | Alpha-1B adrenergic receptor | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Unchecked | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | ADMET | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Protein Tat | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Nuclear factor NF-kappa-B complex | 1 |
Data from ChEMBL 36 via Core Engine