Compound Detail
CHEMBL3758991
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Basic Information
| ChEMBL ID | CHEMBL3758991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQDGJNNXKPPHKX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
416.9
MW (Da)
4.07
ALogP
4
HBA
2
HBD
56.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO ... | 26723530 |
| Alpha-1A adrenergic receptor | Ki | = | 5.0 | nM | 8.3 | Displacement of [3H]-prazosin from human ADRA1A receptor | 26723530 |
| D(2) dopamine receptor | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK... | 26723530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26723530 | 10.1016/j.bmcl.2015.12.068 | Unchecked | 2 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | D(2) dopamine receptor | 1 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | D(3) dopamine receptor | 1 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine