Compound Detail
CHEMBL1277960
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Basic Information
| ChEMBL ID | CHEMBL1277960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPWMDMCKTJPDAT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.32
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | EC50 | 4.78 | 4.78 | 16521.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | EC50 | = | 16521.0 | nM | 4.78 | Agonist activity at rat DAT expressed in CHO cells | 20971650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20971650 | 10.1016/j.bmc.2010.09.049 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine