Compound Detail
CHEMBL358967
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL358967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWPITPSIWMXDPE-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
169.7
MW (Da)
2.23
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.74 | 6.74 | 182.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.37 | 6.37 | 424.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.052 | hr | Oryctolagus cuniculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 182.0 | nM | 6.74 | Inhibition of [3H]5-HT uptake at SERT in rat brain synaptosome | 19717215 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 207.0 | nM | 6.68 | Inhibition of human noradrenaline transporter | 19717215 |
| Sodium-dependent dopamine transporter | IC50 | = | 424.0 | nM | 6.37 | Inhibition of human dopamine transporter | 19717215 |
| Amine oxidase [flavin-containing] A | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial ... | 15801832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23432203 | 10.1021/jm400046q | Unchecked | 5 |
| 7381849 | 10.1021/jm00179a007 | Phenylethanolamine N-methyltransferase | 1 |
| 15801832 | 10.1021/jm0493109 | Amine oxidase [flavin-containing] A | 1 |
| 19717215 | 10.1016/j.ejmech.2009.07.027 | Sodium-dependent serotonin transporter | 1 |
| 19717215 | 10.1016/j.ejmech.2009.07.027 | Sodium-dependent noradrenaline transporter | 1 |
| 19717215 | 10.1016/j.ejmech.2009.07.027 | Sodium-dependent dopamine transporter | 1 |
| 321782 | 10.1021/jm00214a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine