Compound Detail
CHEMBL1358647
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Basic Information
| ChEMBL ID | CHEMBL1358647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBWRKGNTIPMLEC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
3.09
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide S receptor CHEMBL5162 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide S receptor | IC50 | = | 35000.0 | nM | 4.46 | Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO... | 24171469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24171469 | 10.1021/jm400904m | Neuropeptide S receptor | 3 |
Data from ChEMBL 36 via Core Engine