Compound Detail
CHEMBL1308461
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Basic Information
| ChEMBL ID | CHEMBL1308461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEUVACXSTSXSIX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.92
ALogP
4
HBA
0
HBD
42.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.24
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.24 | 5.24 | 5766.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.14 | 5.14 | 7229.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.65 | 4.635 | 22570.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | IC50 | = | 5766.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 7229.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Unchecked | IC50 | = | 22570.0 | nM | 4.65 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Unchecked | IC50 | = | 23990.0 | nM | 4.62 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Data from ChEMBL 36 via Core Engine