Compound Detail
CHEMBL59103
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Basic Information
| ChEMBL ID | CHEMBL59103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNXQFTTXHFQTRX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
4.55
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.6 | 7.6 | 25.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 25.0 | nM | 7.6 | Binding affinity towards human dopamine receptor D4 | 11170639 |
| D(4) dopamine receptor | Ki | = | 25.0 | nM | 7.6 | Binding affinity towards cloned human Dopamine receptor D4 stably expressed in C... | 8642550 |
| D(3) dopamine receptor | Ki | = | 95.0 | nM | 7.02 | Binding affinity towards cloned human Dopamine receptor D3 stably expressed in C... | 8642550 |
| D(2) dopamine receptor | Ki | = | 110.0 | nM | 6.96 | Binding affinity towards cloned human Dopamine receptor D2 stably expressed in C... | 8642550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170639 | 10.1021/jm0002432 | D(4) dopamine receptor | 1 |
| 8642550 | 10.1021/jm9600712 | D(2) dopamine receptor | 1 |
| 8642550 | 10.1021/jm9600712 | D(3) dopamine receptor | 1 |
| 8642550 | 10.1021/jm9600712 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine