Compound Detail
CHEMBL176476
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Basic Information
| ChEMBL ID | CHEMBL176476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRXXYVVZUJPSPA-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.76
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.14 | 7.14 | 72.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.08 | 7.08 | 83.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 13.0 | nM | 7.89 | Affinity for 5-hydroxytryptamine 2 receptor | 9871525 |
| Adrenergic receptor alpha-1 | Ki | = | 29.0 | nM | 7.54 | Binding affinity towards Alpha-1 adrenergic receptor was evaluated | 9871525 |
| D(1A) dopamine receptor | Ki | = | 72.0 | nM | 7.14 | Affinity for Dopamine receptor D1 | 9871525 |
| D(2) dopamine receptor | Ki | = | 83.0 | nM | 7.08 | Affinity for Dopamine receptor D2 | 9871525 |
| Unchecked | Ki | = | 190.0 | nM | 6.72 | Affinity for 5-hydroxytryptamine 1 receptor | 9871525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871525 | 10.1016/s0960-894x(98)00138-3 | D(1A) dopamine receptor | 1 |
| 9871525 | 10.1016/s0960-894x(98)00138-3 | D(2) dopamine receptor | 1 |
| 9871525 | 10.1016/s0960-894x(98)00138-3 | Unchecked | 1 |
| 9871525 | 10.1016/s0960-894x(98)00138-3 | Serotonin 2 (5-HT2) receptor | 1 |
| 9871525 | 10.1016/s0960-894x(98)00138-3 | Adrenergic receptor alpha-1 | 1 |
| 9871525 | 10.1016/s0960-894x(98)00138-3 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine