Compound Detail
CHEMBL3758403
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Basic Information
| ChEMBL ID | CHEMBL3758403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIQSGWHIWLLRTP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
2.76
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.91 | 6.91 | 123.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.38 | 6.38 | 418.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 123.0 | nM | 6.91 | Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO ... | 26723530 |
| Alpha-1A adrenergic receptor | Ki | = | 418.0 | nM | 6.38 | Displacement of [3H]-prazosin from human ADRA1A receptor | 26723530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine