Compound Detail
CHEMBL274517
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Basic Information
| ChEMBL ID | CHEMBL274517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSUPXNKHJARQNU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
4.62
ALogP
3
HBA
1
HBD
56.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 0.6 | nM | 9.22 | Inhibition of [3H]peroxitine binding to rat cortical membranes as measure of inh... | 8487257 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 4.3 | nM | 8.37 | Binding affinity at 5-hydroxytryptamine 2 receptor by the inhibition of binding ... | 8487257 |
| Adrenergic receptor alpha-1 | IC50 | = | 8.0 | nM | 8.1 | Binding affinity at alpha-1-adrenoceptor by the inhibition of binding to [3H]pra... | 8487257 |
| D(2) dopamine receptor | IC50 | = | 81.0 | nM | 7.09 | Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]spi... | 8487257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 8487257 | 10.1021/jm00061a010 | Sodium-dependent serotonin transporter | 1 |
| 8487257 | 10.1021/jm00061a010 | Serotonin 2 (5-HT2) receptor | 1 |
| 8487257 | 10.1021/jm00061a010 | Adrenergic receptor alpha-1 | 1 |
| 8487257 | 10.1021/jm00061a010 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine