Compound Detail
CHEMBL1990096
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Basic Information
| ChEMBL ID | CHEMBL1990096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTOAXNCVFKLQHT-LTGZKZEYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.67
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.15 | 5.15 | 7084.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.1 | 5.1 | 7939.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | IC50 | = | 7084.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Neuropeptide Y receptor type 2 | IC50 | = | 7939.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
Data from ChEMBL 36 via Core Engine