Compound Detail
CHEMBL176990
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Basic Information
| ChEMBL ID | CHEMBL176990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPDOPMUPXBQWBY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.21
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 8.04 | 8.04 | 9.2 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 1.3 | nM | 8.89 | Affinity for 5-hydroxytryptamine 2 receptor | 9871525 |
| D(1A) dopamine receptor | Ki | = | 9.2 | nM | 8.04 | Affinity for Dopamine receptor D1 | 9871525 |
| Adrenergic receptor alpha-1 | Ki | = | 14.0 | nM | 7.85 | Affinity for alpha-1 adrenergic receptor | 9871525 |
| D(2) dopamine receptor | Ki | = | 34.0 | nM | 7.47 | Affinity for Dopamine receptor D2 | 9871525 |
| Unchecked | Ki | = | 120.0 | nM | 6.92 | 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