Compound Detail
CHEMBL58195
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Basic Information
| ChEMBL ID | CHEMBL58195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MELFXABSQOCUHS-LDADJPATSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
485.4
MW (Da)
5.01
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 10.0 | 10.0 | 0.1 | 2 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.09 | 5.09 | 8190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.1 | nM | 10.0 | Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain | 11909701 |
| Sodium-dependent serotonin transporter | Ki | = | 0.1 | nM | 10.0 | Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending ... | 11960503 |
| Norepinephrine transporter | Ki | = | 8190.0 | nM | 5.09 | Ability to inhibit high affinity reuptake of [3H]-NE (Norepinephrine transporter... | 11960503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960503 | 10.1021/jm0105373 | Unchecked | 3 |
| 11909701 | 10.1016/s0960-894x(02)00103-8 | Sodium-dependent serotonin transporter | 1 |
| 11960503 | 10.1021/jm0105373 | Sodium-dependent dopamine transporter | 1 |
| 11960503 | 10.1021/jm0105373 | Sodium-dependent serotonin transporter | 1 |
| 11960503 | 10.1021/jm0105373 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine