Compound Detail
CHEMBL367744
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Basic Information
| ChEMBL ID | CHEMBL367744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNWXKCJTGGFQHQ-KPKJPENVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
3.18
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 6.55 | 6.55 | 283.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.21 | 6.21 | 610.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.82 | 5.82 | 1530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 283.0 | nM | 6.55 | Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occ... | 11909701 |
| Sodium-dependent dopamine transporter | Ki | = | 610.0 | nM | 6.21 | Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum | 11909701 |
| Sodium-dependent serotonin transporter | Ki | = | 1530.0 | nM | 5.82 | Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain | 11909701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11909701 | 10.1016/s0960-894x(02)00103-8 | Sodium-dependent dopamine transporter | 1 |
| 11909701 | 10.1016/s0960-894x(02)00103-8 | Sodium-dependent serotonin transporter | 1 |
| 11909701 | 10.1016/s0960-894x(02)00103-8 | Norepinephrine transporter | 1 |
| 11909701 | 10.1016/s0960-894x(02)00103-8 | Monoamine transporters; serotonin & dopamine | 1 |
| 11909701 | 10.1016/s0960-894x(02)00103-8 | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 11909701 | 10.1016/s0960-894x(02)00103-8 | Monoamine transporters; Norepinephrine & serotonin | 1 |
Data from ChEMBL 36 via Core Engine