Compound Detail
CHEMBL524005
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COc1ccc2c(c1)CC[C@@H]1CN(CC[C@H]3CC[C@H](NC(=O)c4ccc5ccccc5c4)CC3)CCN21
Basic Information
| ChEMBL ID | CHEMBL524005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTRAWPOMIAVCDX-HCLMJZEPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
497.7
MW (Da)
5.66
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.24 | 8.24 | 5.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 5.7 | nM | 8.24 | Inhibition of [3H]-PD 128907 binding to Dopamine receptor D3 in rat ventral stri... | 15857123 |
| D(3) dopamine receptor | Ki | = | 5.7 | nM | 8.24 | Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ven... | 18785726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857123 | 10.1021/jm049031l | Unchecked | 2 |
| 18785726 | 10.1021/jm800471h | Unchecked | 2 |
| 15857123 | 10.1021/jm049031l | D(1B) dopamine receptor | 1 |
| 15857123 | 10.1021/jm049031l | D(4) dopamine receptor | 1 |
| 15857123 | 10.1021/jm049031l | D(3) dopamine receptor | 1 |
| 18785726 | 10.1021/jm800471h | D(3) dopamine receptor | 1 |
| 18785726 | 10.1021/jm800471h | D(2) dopamine receptor | 1 |
| 18785726 | 10.1021/jm800471h | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine