Compound Detail
CHEMBL404851
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Basic Information
| ChEMBL ID | CHEMBL404851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDCWDCYSJSNMNL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.12
ALogP
4
HBA
3
HBD
72.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 11.0 | nM | 7.96 | Displacement of [3H]racemic CP-101606 from rat NR2B receptor in P2 membrane | 17766106 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 8600.0 | nM | 5.07 | Displacement of [3H]bufuralol from hERG channel expressed in HEK293 cells | 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 | Cytochrome P450 2D6 | 1 |
| 17766106 | 10.1016/j.bmcl.2007.08.014 | ADMET | 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 |
Data from ChEMBL 36 via Core Engine