Compound Detail
CHEMBL174568
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COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccc(N=[N+]=[N-])c(I)c1)N2C
Basic Information
| ChEMBL ID | CHEMBL174568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNKNBBUFOGRTPI-UOXCHTLHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.3
MW (Da)
3.41
ALogP
6
HBA
0
HBD
104.6
PSA (Ų)
0.22
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 800.0 | nM | 6.1 | Inhibition of [3H]dopamine uptake at dopamine transporter. | 1552510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552510 | 10.1021/jm00084a001 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine