Compound Detail
CHEMBL513994
PRX-08066 FREE BASE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL513994 |
| Name | PRX-08066 FREE BASE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IENZFHBNCRQMNP-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
4.43
ALogP
6
HBA
1
HBD
64.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 8.46
Ki 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 8.46 | 7.515 | 3.5 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 500.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 597.16 | nM | Rattus norvegicus |
| F | 17.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 3.4 | nM | 8.47 | Inhibition of 5-HT2B receptor (unknown origin) | 30826188 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 3.5 | nM | 8.46 | Antagonist activity at 5-HT2B receptor expressed in CHOK1 cells assessed as inhi... | 19307114 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 270.0 | nM | 6.57 | Antagonist activity at 5-HT2B receptor expressed in CHOK1 cells assessed as inhi... | 19307114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19307114 | 10.1016/j.bmcl.2009.02.126 | Rattus norvegicus | 4 |
| 19307114 | 10.1016/j.bmcl.2009.02.126 | Unchecked | 2 |
| 19307114 | 10.1016/j.bmcl.2009.02.126 | 5-hydroxytryptamine receptor 2B | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19307114 | 10.1016/j.bmcl.2009.02.126 | ADMET | 1 |
| 30826188 | 10.1016/j.bmc.2019.02.044 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine