Compound Detail
CHEMBL2310930
PSEUDOCOCAINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2310930 |
| Name | PSEUDOCOCAINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYDBLCSLKNTEJL-HOAMVYINSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
1.53
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.98
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 4.98 | 4.92 | 10400.0 | 2 |
| Rattus norvegicus CHEMBL376 | Ki | 4.98 | 4.92 | 10400.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 4.8 | 4.725 | 15800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Ki | = | 10400.0 | nM | 4.98 | Binding affinity against [3H]mazindol | 8254627 |
| Sodium-dependent dopamine transporter | Ki | = | 10400.0 | nM | 4.98 | Binding affinity towards dopamine transporter using [3H]- mazindol as radioligan... | 10406650 |
| Rattus norvegicus | Ki | = | 13800.0 | nM | 4.86 | Compound tested for inhibitory activity against [3H]dopamine uptake in synaptoso... | 8254627 |
| Sodium-dependent dopamine transporter | Ki | = | 13800.0 | nM | 4.86 | Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (... | 10406650 |
| Sodium-dependent dopamine transporter | IC50 | = | 15800.0 | nM | 4.8 | Inhibition of [3H]WIN-35428 binding to dopamine transporter in rat striatal memb... | 8246225 |
| Sodium-dependent dopamine transporter | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of [3H]WIN-35428 binding to dopamine transporter in rat striatal memb... | 8246225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254627 | 10.1021/jm00076a028 | Rattus norvegicus | 2 |
| 14695827 | 10.1021/jm030351z | Monoclonal antibody (mAb) 2E2 | 2 |
| 8246225 | 10.1021/jm00075a012 | Sodium-dependent dopamine transporter | 2 |
| 10406650 | 10.1016/s0960-894x(99)00273-5 | Sodium-dependent dopamine transporter | 2 |
Data from ChEMBL 36 via Core Engine