Compound Detail
CHEMBL1256176
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Basic Information
| ChEMBL ID | CHEMBL1256176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMPOOMVZVWKSAP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL10332 |
| Active Moiety | CHEMBL10332 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
0.80
ALogP
5
HBA
1
HBD
52.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Ki 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 1.905 | nM | 8.72 | Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal corte... | 24908653 |
| Plasmodium falciparum | IC50 | = | 7943.28 | nM | 5.1 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 24908653 | 10.1016/j.ejmech.2014.05.057 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine