Compound Detail
CHEMBL104571
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Basic Information
| ChEMBL ID | CHEMBL104571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMTLMUAHYIMWAR-VQIMIIECSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.21
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.54
EC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Adenylate cyclase type 5 CHEMBL2880 | EC50 | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 29.0 | nM | 7.54 | Binding affinity to dopamine D1 receptor | 22204903 |
| D(2) dopamine receptor | Ki | = | 420.0 | nM | 6.38 | Binding affinity to dopamine D2 receptor | 22204903 |
| Adenylate cyclase type 5 | EC50 | = | 610.0 | nM | 6.21 | Effective concentration as Adenylate cyclase activity was measured in rat homoge... | 7636869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636869 | 10.1021/jm00016a009 | Adenylate cyclase type 5 | 2 |
| 7636869 | 10.1021/jm00016a009 | D(1A) dopamine receptor | 1 |
| 7636869 | 10.1021/jm00016a009 | D(2) dopamine receptor | 1 |
| 7636869 | 10.1021/jm00016a009 | Dopamine receptors; D1 & D2 | 1 |
| 22204903 | 10.1016/j.ejmech.2011.11.039 | D(1A) dopamine receptor | 1 |
| 22204903 | 10.1016/j.ejmech.2011.11.039 | D(2) dopamine receptor | 1 |
| 22204903 | 10.1016/j.ejmech.2011.11.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine