Compound Detail
CHEMBL102582
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Basic Information
| ChEMBL ID | CHEMBL102582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCSREICEMHWFAY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
2.49
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.68 | 9.68 | 0.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.21 | 8.21 | 6.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.21 | nM | 9.68 | In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cell... | 12086487 |
| D(2) dopamine receptor | Ki | = | 6.24 | nM | 8.21 | In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cell... | 12086487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 12086487 | 10.1021/jm001015a | D(2) dopamine receptor | 1 |
| 12086487 | 10.1021/jm001015a | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine