Compound Detail
CHEMBL1424807
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Basic Information
| ChEMBL ID | CHEMBL1424807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDQMXYJSNNCRAS-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
231.1
MW (Da)
2.40
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 6.97 | 6.97 | 107.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.86 | 6.2467 | 137.3 | 3 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.71 | 6.71 | 197.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Ki | = | 107.15 | nM | 6.97 | Displacement of [3H]dihydroalprenolol from human wild type beta1 adrenergic rece... | 23517028 |
| D(2) dopamine receptor | Ki | = | 137.3 | nM | 6.86 | Displacement of [125I]IABN from human D2L receptor expressed in HEK293 cells aft... | 22632094 |
| D(3) dopamine receptor | Ki | = | 197.4 | nM | 6.71 | Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells afte... | 22632094 |
| D(2) dopamine receptor | Ki | = | 1160.0 | nM | 5.94 | Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cel... | 24827597 |
| D(2) dopamine receptor | Ki | = | 1148.15 | nM | 5.94 | Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cel... | 24827597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22632094 | 10.1021/jm300482h | D(3) dopamine receptor | 2 |
| 22632094 | 10.1021/jm300482h | D(2) dopamine receptor | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M4 | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M3 | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M2 | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M1 | 2 |
| 24827597 | 10.1021/jm500457x | D(2) dopamine receptor | 2 |
| 22809299 | 10.1021/jm301017v | D(2) dopamine receptor | 1 |
| 22809299 | 10.1021/jm301017v | D(3) dopamine receptor | 1 |
| 22632094 | 10.1021/jm300482h | Unchecked | 1 |
| 23517028 | 10.1021/jm400140q | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine