Compound Detail
CHEMBL5279691
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Basic Information
| ChEMBL ID | CHEMBL5279691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXKGCSWBGJTTJM-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
2.73
ALogP
6
HBA
2
HBD
92.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.96
EC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 14 CHEMBL3309105 | EC50 | 7.14 | 7.14 | 72.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.14 | 4.97 | 7300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 14 | EC50 | = | 72.0 | nM | 7.14 | Agonist activity at human TAS2R14 transfected in HEK293T cells assessed as IP1 a... | 36847646 |
| D(3) dopamine receptor | Ki | = | 1100.0 | nM | 5.96 | Displacement of [3H]methylspiperone from human D3 receptor stably expressed in H... | 36847646 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 2300.0 | nM | 5.64 | Displacement of [3H]NMS from human M2 receptor stably expressed in HEK293T cells... | 36847646 |
| D(2) dopamine receptor | Ki | = | 7300.0 | nM | 5.14 | Displacement of [3H]methylspiperone from human D2S receptor stably expressed in ... | 36847646 |
| D(2) dopamine receptor | Ki | = | 16000.0 | nM | 4.8 | Displacement of [3H]methylspiperone from human D2L receptor stably expressed in ... | 36847646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36847646 | 10.1021/acs.jmedchem.2c01997 | Taste receptor type 2 member 14 | 3 |
| 36847646 | 10.1021/acs.jmedchem.2c01997 | D(2) dopamine receptor | 2 |
| 36847646 | 10.1021/acs.jmedchem.2c01997 | D(3) dopamine receptor | 1 |
| 36847646 | 10.1021/acs.jmedchem.2c01997 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine