Compound Detail
CHEMBL348285
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Basic Information
| ChEMBL ID | CHEMBL348285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGMDLAIZBKXVQQ-SECBINFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
1.18
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.45 | 6.45 | 355.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.61 | 5.61 | 2459.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 355.0 | nM | 6.45 | Binding affinity towards Dopamine receptor D2 by displacement of [3H]U-86170. | 9057850 |
| D(3) dopamine receptor | Ki | = | 2459.0 | nM | 5.61 | Binding affinity towards Dopamine receptor D3 by displacement of [3H](+)-7-OH-DP... | 9057850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057850 | 10.1021/jm960360q | ADMET | 5 |
| 9057850 | 10.1021/jm960360q | Mus musculus | 4 |
| 9057850 | 10.1021/jm960360q | D(2) dopamine receptor | 1 |
| 9057850 | 10.1021/jm960360q | D(3) dopamine receptor | 1 |
| 9057850 | 10.1021/jm960360q | 5-hydroxytryptamine receptor 1A | 1 |
| 9057850 | 10.1021/jm960360q | Adrenergic receptor alpha-1 | 1 |
| 9057850 | 10.1021/jm960360q | Adrenergic receptor alpha-2 | 1 |
| 9057850 | 10.1021/jm960360q | Adrenergic receptor beta | 1 |
| 9057850 | 10.1021/jm960360q | GABA-A receptor; anion channel | 1 |
| 9057850 | 10.1021/jm960360q | Muscarinic acetylcholine receptor | 1 |
| 9057850 | 10.1021/jm960360q | D(1A) dopamine receptor | 1 |
| 9057850 | 10.1021/jm960360q | D(4) dopamine receptor | 1 |
| 9057850 | 10.1021/jm960360q | Opioid receptors; mu/kappa/delta | 1 |
| 9057850 | 10.1021/jm960360q | 5-hydroxytryptamine receptor 2A | 1 |
| 9057850 | 10.1021/jm960360q | Rattus norvegicus | 1 |
| 9057850 | 10.1021/jm960360q | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine