Compound Detail
CHEMBL68230
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Basic Information
| ChEMBL ID | CHEMBL68230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZTYHTIOAPBYFN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.94
ALogP
5
HBA
1
HBD
64.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.43
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
| H9c2 CHEMBL614576 | IC50 | 5.14 | 5.14 | 7276.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | EC50 | = | 3700.0 | nM | 5.43 | Vasorelaxation of phenylephrine-stimulated Wistar rat aorta contraction | 16513345 |
| H9c2 | IC50 | = | 7276.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12873511 | 10.1016/s0960-894x(03)00509-2 | Plasmodium falciparum | 3 |
| 11591517 | 10.1016/s0960-894x(01)00562-5 | Trypanosoma cruzi | 2 |
| 16513345 | 10.1016/j.bmcl.2006.02.003 | Alpha-1D adrenergic receptor | 2 |
| 11514152 | 10.1016/s0960-894x(01)00387-0 | Leishmania braziliensis | 1 |
| 11514152 | 10.1016/s0960-894x(01)00387-0 | Leishmania amazonensis | 1 |
| 11514152 | 10.1016/s0960-894x(01)00387-0 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine