Compound Detail
CHEMBL467540
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Basic Information
| ChEMBL ID | CHEMBL467540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDLWLYDTYNHXBM-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
475.7
MW (Da)
4.78
ALogP
6
HBA
1
HBD
48.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.07
Ki 2 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | EC50 | 10.07 | 10.07 | 0.1 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 9.04 | 9.04 | 0.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.58 | 6.58 | 264.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | EC50 | = | 0.085 | nM | 10.07 | Agonist activity at human dopamine D3 receptor expressed in mouse ATt-20 cells a... | 18410082 |
| D(3) dopamine receptor | Ki | = | 0.92 | nM | 9.04 | Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 ... | 18410082 |
| D(2) dopamine receptor | EC50 | = | 19.9 | nM | 7.7 | Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed ... | 18410082 |
| D(2) dopamine receptor | Ki | = | 264.0 | nM | 6.58 | Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293... | 18410082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18410082 | 10.1021/jm701524h | D(2) dopamine receptor | 3 |
| 18410082 | 10.1021/jm701524h | D(3) dopamine receptor | 3 |
| 18410082 | 10.1021/jm701524h | Rattus norvegicus | 3 |
| 18410082 | 10.1021/jm701524h | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine