Compound Detail
CHEMBL3099495
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 | CHEMBL3099495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFHIQNNCHHVSLK-ZEQRLZLVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
5.02
ALogP
3
HBA
2
HBD
47.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transporter CHEMBL6184 | Ki | 8.08 | 8.08 | 8.4 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.49 | 7.49 | 32.5 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.16 | 7.16 | 69.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transporter | Ki | = | 8.4 | nM | 8.08 | Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins | 24315194 |
| Sodium-dependent dopamine transporter | Ki | = | 32.5 | nM | 7.49 | Displacement of [3H]-dopamine from rat striatum DAT after 5 mins | 24315194 |
| Sodium-dependent serotonin transporter | Ki | = | 69.1 | nM | 7.16 | Displacement of [3H]5-HT from rat cerebral cortex SERT after 10 mins | 24315194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24315194 | 10.1016/j.bmc.2013.11.017 | Transporter | 1 |
| 24315194 | 10.1016/j.bmc.2013.11.017 | Sodium-dependent serotonin transporter | 1 |
| 24315194 | 10.1016/j.bmc.2013.11.017 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine