Compound Detail
CHEMBL1917285
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Basic Information
| ChEMBL ID | CHEMBL1917285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDEPOZXGNBBGMI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.98
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rhesus monkey CHEMBL614875 | IC50 | 8.51 | 8.34 | 3.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rhesus monkey | IC50 | = | 3.1 | nM | 8.51 | Inhibition of sigma 1 receptor in conscious monkey brain at 220 to 802 MBq, iv | 21962578 |
| Rhesus monkey | IC50 | = | 6.8 | nM | 8.17 | Inhibition of sigma 2 receptor in conscious monkey brain at 220 to 802 MBq, iv | 21962578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21962578 | 10.1016/j.bmcl.2011.09.028 | Rhesus monkey | 2 |
Data from ChEMBL 36 via Core Engine