Compound Detail
CHEMBL171903
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Basic Information
| ChEMBL ID | CHEMBL171903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOPDUCMTADSUBN-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
3.93
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.14 | 8.14 | 7.2 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 3.0 | nM | 8.52 | Affinity for Dopamine receptor D2 | 9871525 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 7.2 | nM | 8.14 | Affinity for 5-hydroxytryptamine 2 receptor | 9871525 |
| D(1A) dopamine receptor | Ki | = | 24.0 | nM | 7.62 | Affinity for Dopamine receptor D1 | 9871525 |
| Adrenergic receptor alpha-1 | Ki | = | 35.0 | nM | 7.46 | Affinity for alpha-1 adrenergic receptor | 9871525 |
| Unchecked | Ki | = | 230.0 | nM | 6.64 | 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