Compound Detail
CHEMBL9944
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Basic Information
| ChEMBL ID | CHEMBL9944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXYVQBPIOVUKHG-INIZCTEOSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.68
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Ki 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.05 | 7.05 | 88.2 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.38 | 6.38 | 414.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 88.2 | nM | 7.05 | Ability to displace [3H]rauwolscine from Alpha-2 adrenergic receptor in rat cort... | 9089327 |
| Sodium-dependent serotonin transporter | IC50 | = | 414.0 | nM | 6.38 | Inhibition of uptake of [3H]5-HT in synaptosomes from rat cortex | 9089327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9089327 | 10.1021/jm960723m | Adrenergic receptor alpha-2 | 1 |
| 9089327 | 10.1021/jm960723m | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine