Compound Detail
CHEMBL1672312
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Basic Information
| ChEMBL ID | CHEMBL1672312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAJYDMAAHSFWGH-QGZVFWFLSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.88
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 9.08 | 7.6 | 0.8 | 2 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.83 | nM | 9.08 | Displacement of [3H]domperidone from dopamine D2 receptor high binding site in S... | 21666830 |
| D(1A) dopamine receptor | Ki | = | 0.83 | nM | 9.08 | Binding affinity to D1 receptor (unknown origin) assessed as inhibition constant | 39038276 |
| D(3) dopamine receptor | Ki | = | 550.0 | nM | 6.26 | Displacement of [3H]domperidone from rat cloned dopamine D3 receptor | 21666830 |
| D(2) dopamine receptor | Ki | = | 750.0 | nM | 6.12 | Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprag... | 21666830 |
| D(2) dopamine receptor | Ki | = | 750.0 | nM | 6.12 | Binding affinity to D2 receptor (unknown origin) assessed as inhibition constant | 39038276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21666830 | 10.1021/ml1001689 | D(2) dopamine receptor | 2 |
| 21666830 | 10.1021/ml1001689 | D(1A) dopamine receptor | 2 |
| 21666830 | 10.1021/ml1001689 | D(3) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(1A) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine