Compound Detail
CHEMBL4094900
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Basic Information
| ChEMBL ID | CHEMBL4094900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIANRSPJEBRESY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
1.70
ALogP
5
HBA
1
HBD
45.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.24 | 5.24 | 5700.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 2800.0 | nM | 5.55 | Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes | 28870802 |
| D(2) dopamine receptor | Ki | = | 5700.0 | nM | 5.24 | Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes | 28870802 |
| Unchecked | Ki | = | 5800.0 | nM | 5.24 | Displacement of [3H]WAY100635 from 5-HT1AR in porcine cerebral cortex homogenate... | 28870802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(2) dopamine receptor | 2 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | Unchecked | 2 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(1A) dopamine receptor | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(3) dopamine receptor | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(4) dopamine receptor | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(1B) dopamine receptor | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine