Compound Detail
CHEMBL1627323
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Basic Information
| ChEMBL ID | CHEMBL1627323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKLQUANCQYMFOA-ONEGZZNKSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
443.4
MW (Da)
4.58
ALogP
3
HBA
2
HBD
51.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.36
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.36 | 9.36 | 0.4 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.12 | 7.12 | 76.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.71 | 6.71 | 193.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.19 | 6.19 | 640.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.03 | 6.03 | 931.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.44 | nM | 9.36 | Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells | 19331412 |
| D(3) dopamine receptor | IC50 | = | 7.0 | nM | 8.15 | Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as i... | 19331412 |
| Unchecked | Ki | = | 76.4 | nM | 7.12 | Displacement of [125]IABN from human cloned D2 like receptor expressed in HEK293... | 19331412 |
| Unchecked | IC50 | = | 175.0 | nM | 6.76 | Antagonist activity at human D2 like receptor expressed in HEK293 cells assessed... | 19331412 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 193.0 | nM | 6.71 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor | 19331412 |
| D(4) dopamine receptor | Ki | = | 640.0 | nM | 6.19 | Displacement of [125]IABN from human D4 receptor expressed in HEK293 cells | 19331412 |
| D(1A) dopamine receptor | Ki | = | 931.0 | nM | 6.03 | Displacement of [3H]SCH23390 from D1 receptor | 19331412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19331412 | 10.1021/jm900095y | Unchecked | 4 |
| 19331412 | 10.1021/jm900095y | D(3) dopamine receptor | 2 |
| 19331412 | 10.1021/jm900095y | D(4) dopamine receptor | 1 |
| 19331412 | 10.1021/jm900095y | D(1A) dopamine receptor | 1 |
| 19331412 | 10.1021/jm900095y | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine