Compound Detail
CHEMBL484203
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Basic Information
| ChEMBL ID | CHEMBL484203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDKQNHRWVCQEIG-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
3.58
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.75 | 5.21 | 1800.0 | 3 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.68 | 5.535 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells | 18834111 |
| D(3) dopamine receptor | Ki | = | 280.0 | nM | 6.55 | Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells | 18834111 |
| Unchecked | Ki | = | 1800.0 | nM | 5.75 | Displacement of [3H]WAY100635 from 5HT1A receptor in pig striatal membrane | 18834111 |
| D(2) dopamine receptor | Ki | = | 2100.0 | nM | 5.68 | Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells | 18834111 |
| D(2) dopamine receptor | Ki | = | 4100.0 | nM | 5.39 | Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells | 18834111 |
| Unchecked | Ki | = | 8700.0 | nM | 5.06 | Displacement of [3H]prazosin from adrenergic alpha1 receptor in pig striatal mem... | 18834111 |
| Unchecked | Ki | = | 15000.0 | nM | 4.82 | Displacement of [3H]ketanserin from 5HT2 receptor in pig striatal membrane | 18834111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18834111 | 10.1021/jm800895v | Unchecked | 3 |
| 18834111 | 10.1021/jm800895v | D(2) dopamine receptor | 2 |
| 18834111 | 10.1021/jm800895v | D(3) dopamine receptor | 1 |
| 18834111 | 10.1021/jm800895v | D(4) dopamine receptor | 1 |
| 18834111 | 10.1021/jm800895v | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine