Compound Detail
CHEMBL284394
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Basic Information
| ChEMBL ID | CHEMBL284394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVGYEFKIHJTNQZ-ZIHBUVQPSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
1.78
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 9.0 | 7.2033 | 1.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.0 | nM | 9.0 | Inhibition of [3H]-dopamine uptake at dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 4.0 | nM | 8.4 | Inhibition of [3H]GBR-12935 binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of [3H]cocaine binding to the dopamine transporter. | 1552510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552510 | 10.1021/jm00084a001 | Sodium-dependent dopamine transporter | 5 |
| 1732520 | 10.1021/jm00079a017 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine