Compound Detail
CHEMBL1345334
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Basic Information
| ChEMBL ID | CHEMBL1345334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKUCORTZMBHNKW-DTQAZKPQSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
5.26
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
EC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.4 | 5.4 | 4021.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.31 | 5.31 | 4871.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.26 | 5.26 | 5505.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | IC50 | = | 4021.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 4871.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Neuropeptide Y receptor type 2 | IC50 | = | 5505.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
Data from ChEMBL 36 via Core Engine