Compound Detail
CHEMBL1419096
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Basic Information
| ChEMBL ID | CHEMBL1419096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PURJOKFQUJNOJE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
2.09
ALogP
9
HBA
2
HBD
138.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.42 | 4.89 | 3770.0 | 2 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.32 | 5.32 | 4826.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3770.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 4826.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Neuropeptide Y receptor type 2 | IC50 | = | 15000.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
| Unchecked | IC50 | = | 43600.0 | nM | 4.36 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
Data from ChEMBL 36 via Core Engine