Compound Detail
CHEMBL1446321
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Basic Information
| ChEMBL ID | CHEMBL1446321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSDQIJMWSKQXQQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
539.3
MW (Da)
2.11
ALogP
4
HBA
0
HBD
60.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.38
EC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 CHEMBL1293293 | IC50 | 5.38 | 5.38 | 4176.0 | 1 |
| Ion channel NompC CHEMBL1293245 | EC50 | 4.77 | 4.77 | 16900.0 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 4.68 | 4.68 | 20714.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 | IC50 | = | 4176.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Fluorescence-based dose response cell-based high throughput sc... | - |
| Ion channel NompC | EC50 | = | 16900.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 20714.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for antagonists of the G-prot... | - |
Data from ChEMBL 36 via Core Engine