Compound Detail
CHEMBL2205833
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Basic Information
| ChEMBL ID | CHEMBL2205833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCGVCGVBZDMLGR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
1.34
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.49 | 5.49 | 3234.0 | 2 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.33 | 5.33 | 4732.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3234.0 | nM | 5.49 | Displacement of [3H]DTG from rat PC12 cells sigma 2 receptor | 22959245 |
| Unchecked | Ki | = | 3234.0 | nM | 5.49 | Displacement of [3H]-DTG from sigma-2 receptor in rat PC12 cells | 23981939 |
| Alpha-2C adrenergic receptor | Ki | = | 4732.0 | nM | 5.33 | Inhibition of adrenergic alpha2C receptor (unknown origin) by PDSP assay | 23981939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23981939 | 10.1016/j.bmc.2013.07.045 | Unchecked | 5 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Unchecked | 5 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Alpha-1D adrenergic receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Muscarinic acetylcholine receptor M3 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | 5-hydroxytryptamine receptor 7 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Sodium-dependent serotonin transporter | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Muscarinic acetylcholine receptor M1 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Muscarinic acetylcholine receptor M3 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Muscarinic acetylcholine receptor M4 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Muscarinic acetylcholine receptor M5 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Delta-type opioid receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Kappa-type opioid receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | D(3) dopamine receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | 5-hydroxytryptamine receptor 1A | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | 5-hydroxytryptamine receptor 1D | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Alpha-1A adrenergic receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Sodium-dependent noradrenaline transporter | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Mu-type opioid receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Alpha-2B adrenergic receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Alpha-2C adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine