Compound Detail
CHEMBL1210242
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Basic Information
| ChEMBL ID | CHEMBL1210242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLRCNVZXPIUSDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.7
MW (Da)
5.10
ALogP
4
HBA
0
HBD
45.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide S receptor CHEMBL5162 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide S receptor | IC50 | = | 31.0 | nM | 7.51 | Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells a... | 20510609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20510609 | 10.1016/j.bmcl.2010.04.143 | ATP-dependent translocase ABCB1 | 2 |
| 20510609 | 10.1016/j.bmcl.2010.04.143 | Neuropeptide S receptor | 1 |
Data from ChEMBL 36 via Core Engine