Compound Detail
CHEMBL3126734
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Basic Information
| ChEMBL ID | CHEMBL3126734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQIJEINZTIJVAW-UHFFFAOYSA-N |
4
Targets
12
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.6
MW (Da)
5.73
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.53 | 6.53 | 295.0 | 4 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.07 | 6.06 | 853.0 | 4 |
| Unchecked CHEMBL612545 | Ki | 5.41 | 5.335 | 3910.0 | 2 |
| Transporter CHEMBL6184 | Ki | 5.41 | 5.41 | 3910.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24494745 | 10.1021/jm401754x | Unchecked | 1 |
| 24494745 | 10.1021/jm401754x | Sodium-dependent serotonin transporter | 1 |
| 24494745 | 10.1021/jm401754x | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine