Compound Detail
CHEMBL247841
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CC(C(O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2cccc(COc3ccccc3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL247841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYYPZMAUJKZZBD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
4.56
ALogP
5
HBA
3
HBD
82.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 6.3 | nM | 8.2 | Displacement of [3H]racemic CP-101606 from rat NR2B receptor in P2 membrane | 17766106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17766106 | 10.1016/j.bmcl.2007.08.014 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 17766106 | 10.1016/j.bmcl.2007.08.014 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17766106 | 10.1016/j.bmcl.2007.08.014 | Unchecked | 1 |
| 17766106 | 10.1016/j.bmcl.2007.08.014 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine