Compound Detail
CHEMBL1202219
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Basic Information
| ChEMBL ID | CHEMBL1202219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLUULIBITLCWHW-PHJLCXHGSA-N |
| Parent Compound | CHEMBL126322 |
| Active Moiety | CHEMBL126322 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.9
MW (Da)
4.40
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 9.0 | nM | 8.05 | Binding affinity to alpha-1 adrenergic receptor from rat brain homogenate, using... | 11052797 |
| D(4) dopamine receptor | IC50 | = | 10.0 | nM | 8.0 | Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 ... | 11052797 |
| D(2) dopamine receptor | IC50 | = | 13.0 | nM | 7.89 | Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 ... | 11052797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052797 | 10.1021/jm990562x | D(2) dopamine receptor | 1 |
| 11052797 | 10.1021/jm990562x | D(4) dopamine receptor | 1 |
| 11052797 | 10.1021/jm990562x | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine