Compound Detail
CHEMBL1428935
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1428935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEGOWRUWFNZQGT-NDENLUEZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.8
MW (Da)
4.84
ALogP
5
HBA
0
HBD
81.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.51 | 5.51 | 3064.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.44 | 5.11 | 3640.0 | 2 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.39 | 5.39 | 4079.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | IC50 | = | 3064.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
| Kappa-type opioid receptor | IC50 | = | 3640.0 | nM | 5.44 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 4079.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Kappa-type opioid receptor | IC50 | = | 16453.0 | nM | 4.78 | PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Antagonists of the KOR Re... | - |
Data from ChEMBL 36 via Core Engine