Compound Detail
CHEMBL485499
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Basic Information
| ChEMBL ID | CHEMBL485499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNBRMLSEYFMCPO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.3
MW (Da)
3.69
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.62 | 7.62 | 24.1 | 1 |
| D(2) dopamine receptor CHEMBL3998 | Ki | 7.21 | 7.21 | 61.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 24.1 | nM | 7.62 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in bovine hippocampi synaptoso... | 18006194 |
| D(2) dopamine receptor | Ki | = | 61.9 | nM | 7.21 | Displacement of [3H]Spiperone from dopamine D2 receptor in bovine caudate nuclei... | 18006194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18006194 | 10.1016/j.ejmech.2007.09.027 | D(1A) dopamine receptor | 1 |
| 18006194 | 10.1016/j.ejmech.2007.09.027 | D(2) dopamine receptor | 1 |
| 18006194 | 10.1016/j.ejmech.2007.09.027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine