Compound Detail
CHEMBL305362
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Basic Information
| ChEMBL ID | CHEMBL305362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNGNQZWCWJWYDP-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
5.99
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.05
Kd 1 meas. best 8.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 9.05 | 8.995 | 0.9 | 2 |
| D(3) dopamine receptor CHEMBL234 | Kd | 8.95 | 8.95 | 1.1 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.58 | 6.58 | 262.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.55 | 6.55 | 283.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.9 | nM | 9.05 | Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]IABN displacement... | 14684327 |
| D(3) dopamine receptor | Kd | = | 1.122 | nM | 8.95 | Intrinsic activity against dopamine receptor D3 by Eu-GTP binding assay | 16335915 |
| D(3) dopamine receptor | Ki | = | 1.15 | nM | 8.94 | Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as r... | 12477356 |
| D(3) dopamine receptor | Ki | = | 1.98 | nM | 8.7 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO c... | 16335915 |
| D(2) dopamine receptor | Ki | = | 262.0 | nM | 6.58 | Binding affinity at dopamine receptor D2 on Sf9 cells by [125I]IABN displacement... | 14684327 |
| D(4) dopamine receptor | Ki | = | 283.0 | nM | 6.55 | Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as ra... | 12477356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335915 | 10.1021/jm050729o | D(3) dopamine receptor | 3 |
| 12477356 | 10.1021/jm020952a | D(2) dopamine receptor | 2 |
| 12477356 | 10.1021/jm020952a | 5-hydroxytryptamine receptor 1A | 2 |
| 12477356 | 10.1021/jm020952a | Adrenergic receptor alpha-1 | 2 |
| 14684327 | 10.1016/j.bmcl.2003.09.083 | D(2) dopamine receptor | 1 |
| 14684327 | 10.1016/j.bmcl.2003.09.083 | D(3) dopamine receptor | 1 |
| 14684327 | 10.1016/j.bmcl.2003.09.083 | Dopamine receptor D2 and D3 | 1 |
| 12477356 | 10.1021/jm020952a | D(3) dopamine receptor | 1 |
| 12477356 | 10.1021/jm020952a | D(4) dopamine receptor | 1 |
| 12477356 | 10.1021/jm020952a | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine