Compound Detail
CHEMBL360390
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Basic Information
| ChEMBL ID | CHEMBL360390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGTNSGOMXSGNLN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.30
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 9.52 | 9.52 | 0.3 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 0.3 | nM | 9.52 | Inhibition of [3H]5-HT re-uptake in rat synaptosomes | 15341484 |
| Sodium-dependent serotonin transporter | IC50 | = | 0.3 | nM | 9.52 | inhibition of rat cerebral 5HT transporter assessed as reduction in [3H]5HT reup... | 29400967 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 3.0 | nM | 8.52 | Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expressed i... | 15341484 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 3.0 | nM | 8.52 | Agonist activity at human 5HT1A expressed in CHO cell membranes assessed as incr... | 29400967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341484 | 10.1021/jm040793q | 5-hydroxytryptamine receptor 1A | 1 |
| 15341484 | 10.1021/jm040793q | Sodium-dependent serotonin transporter | 1 |
| 15341484 | 10.1021/jm040793q | D(2) dopamine receptor | 1 |
| 29400967 | 10.1021/acs.jmedchem.7b01788 | 5-hydroxytryptamine receptor 1A | 1 |
| 29400967 | 10.1021/acs.jmedchem.7b01788 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine