Compound Detail
CHEMBL1584538
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Basic Information
| ChEMBL ID | CHEMBL1584538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNCQCCQZOQVQKT-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.8
MW (Da)
4.00
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 CHEMBL1293293 | IC50 | 5.66 | 5.6167 | 2200.0 | 3 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 4.77 | 4.7 | 17000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 | IC50 | = | 2200.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose response cell-based screeni... | - |
| Neuropeptides B/W receptor type 1 | IC50 | = | 2200.0 | nM | 5.66 | Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Gal... | 23079522 |
| Neuropeptides B/W receptor type 1 | IC50 | = | 2936.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Fluorescence-based dose response cell-based high throughput sc... | - |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 17000.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Late-stage fluorescence-based counterscreen for antagonists of... | - |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 23622.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for antagonists of the G-prot... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23079522 | 10.1016/j.bmcl.2012.09.074 | Neuropeptides B/W receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine