Compound Detail
CHEMBL3799292
(R)-9s Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL3799292 |
| Name | (R)-9s |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDJPHTNUARAVMH-SECBINFHSA-N |
2
Targets
3
Activities
2
Assay Types
5
PK Parameters
20
Publications
1
Known Names
Molecular Properties
300.8
MW (Da)
2.20
ALogP
4
HBA
2
HBD
95.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.8 | 8.8 | 1.6 | 2 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 368.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 39.17 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 472.15 | nM | Rattus norvegicus |
| F | 86.0 | % | Rattus norvegicus |
| MRT | 3.14 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 1.6 | nM | 8.8 | Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor e... | 26954848 |
| Alpha-1D adrenergic receptor | Ki | = | 1.6 | nM | 8.8 | Binding assay (ADRA1D) | - |
| Alpha-2B adrenergic receptor | IC50 | = | 1400.0 | nM | 5.85 | alpha2B Eurofins-Panlabs ligand profiling | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507301 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL4507301 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL4507301 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4507301 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| 26954848 | 10.1021/acs.jmedchem.5b01528 | Rattus norvegicus | 9 |
| - | 10.6019/CHEMBL4507301 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4507301 | Unchecked | 8 |
| - | 10.6019/CHEMBL4507301 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507301 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507301 | Alpha-1D adrenergic receptor | 3 |
| - | 10.6019/CHEMBL4507301 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507301 | Beta-3 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4507301 | Tyrosine-protein kinase JAK1 | 2 |
| - | 10.6019/CHEMBL4507301 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4507301 | Beta-1 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4507301 | Alpha-2B adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4507301 | Macrophage colony-stimulating factor 1 receptor | 2 |
| - | 10.6019/CHEMBL4507301 | Alpha-2A adrenergic receptor | 2 |
| 26954848 | 10.1021/acs.jmedchem.5b01528 | Urinary bladder | 2 |
| 26954848 | 10.1021/acs.jmedchem.5b01528 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine