Compound Detail
CHEMBL347291
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Basic Information
| ChEMBL ID | CHEMBL347291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUTVAWSMMMBCQT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
2.94
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.28 | 6.28 | 530.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 26.0 | nM | 7.58 | Ability to displace [3H]spiperone from cloned human dopamine D4 receptor stably ... | 10098669 |
| D(3) dopamine receptor | Ki | = | 530.0 | nM | 6.28 | Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably... | 10098669 |
| D(2) dopamine receptor | Ki | = | 900.0 | nM | 6.05 | Ability to displace [3H]spiperone from cloned human dopamine D2 receptor stably ... | 10098669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10098669 | 10.1016/s0960-894x(99)00025-6 | D(2) dopamine receptor | 1 |
| 10098669 | 10.1016/s0960-894x(99)00025-6 | D(3) dopamine receptor | 1 |
| 10098669 | 10.1016/s0960-894x(99)00025-6 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine