Compound Detail
CHEMBL428999
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Basic Information
| ChEMBL ID | CHEMBL428999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTZLLWPDAQVIOA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
249.1
MW (Da)
2.91
ALogP
1
HBA
1
HBD
28.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.88 | 5.88 | 1330.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 400.0 | nM | 6.4 | Binding affinity at rat imidazoline receptor I-2 | 15013009 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1330.0 | nM | 5.88 | Binding affinity towards cloned rat 5-hydroxytryptamine 2A receptor by [3H]ketan... | 14643338 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 2100.0 | nM | 5.68 | Binding affinity towards cloned rat 5-hydroxytryptamine 2C receptor from fundus ... | 14643338 |
| Adrenergic receptor alpha-2 | Ki | = | 10700.0 | nM | 4.97 | Binding affinity at alpha-2 adrenergic receptors of rat. | 15013009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643338 | 10.1016/j.bmcl.2003.09.027 | 5-hydroxytryptamine receptor 2A | 2 |
| 15013009 | 10.1016/j.bmcl.2003.11.078 | Unchecked | 1 |
| 15013009 | 10.1016/j.bmcl.2003.11.078 | Adrenergic receptor alpha-2 | 1 |
| 14643338 | 10.1016/j.bmcl.2003.09.027 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine