Compound Detail
CHEMBL59501
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Basic Information
| ChEMBL ID | CHEMBL59501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNYXWJRBLXUOLM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
3.35
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.59 | 8.11 | 2.6 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2.6 | nM | 8.59 | In vitro high binding affinity towards Dopamine receptor D2 by the displacement ... | 10354409 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 8.0 | nM | 8.1 | In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by the displac... | 10354409 |
| D(2) dopamine receptor | Ki | = | 23.4 | nM | 7.63 | In vitro low binding affinity towards Dopamine receptor D2 by the displacement o... | 10354409 |
| Adrenergic receptor alpha-1 | Ki | = | 41.0 | nM | 7.39 | In vitro binding affinity towards alpha-1 adrenergic receptor by the displacemen... | 10354409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10354409 | 10.1021/jm990023s | D(2) dopamine receptor | 3 |
| 10354409 | 10.1021/jm990023s | 5-hydroxytryptamine receptor 1A | 1 |
| 10354409 | 10.1021/jm990023s | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine