Compound Detail
CHEMBL447018
DIMETHYLPSEUDOXANDRINE Enter ChEMBL ID:
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COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](C(=O)c1ccc(OC)c(c1)-c1cc(ccc1OC)C[C@H]3N(C)CC2)N(C)CC4
Basic Information
| ChEMBL ID | CHEMBL447018 |
| Name | DIMETHYLPSEUDOXANDRINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUBUFGSPDJQCJZ-ZADIWHOSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
650.8
MW (Da)
6.69
ALogP
9
HBA
0
HBD
78.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 4.7 | 4.7 | 20100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 20100.0 | nM | 4.7 | Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat st... | 8676127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676127 | 10.1021/np50124a001 | Unchecked | 2 |
| 8676127 | 10.1021/np50124a001 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine