Compound Detail
CHEMBL337702
OXIDOPAMINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL337702 |
| Name | OXIDOPAMINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DIVDFFZHCJEHGG-UHFFFAOYSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
20
Publications
2
Known Names
Molecular Properties
169.2
MW (Da)
0.30
ALogP
4
HBA
4
HBD
86.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 3 meas. best 4.22
IC50 2 meas. best 6.11
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 7.29 | 7.29 | 51.0 | 1 |
| DNA repair protein RAD52 homolog CHEMBL2362978 | IC50 | 6.11 | 6.11 | 779.0 | 1 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 12.0 | nM | 7.92 | Evaluated for the Competitive inhibition of uptake of dopamine transporter | 7562944 |
| Norepinephrine transporter | Ki | = | 51.0 | nM | 7.29 | Evaluated for the Competitive inhibition of uptake of norepinephrine | 7562944 |
| DNA repair protein RAD52 homolog | IC50 | = | 779.0 | nM | 6.11 | Inhibition of RAD52 (unknown origin) assessed as reduction in RAD52-ssDNA intera... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of GAPDH | 17115034 |
| Rattus norvegicus | EC50 | = | 60000.0 | nM | 4.22 | Evaluated for the stimulation of synaptosomal release of Dopamine (release const... | 7562944 |
Literature References
Data from ChEMBL 36 via Core Engine