Compound Detail
CHEMBL1550184
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Basic Information
| ChEMBL ID | CHEMBL1550184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITJPSPFMNIIRSG-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1624501 |
| Active Moiety | CHEMBL1624501 |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
289.5
MW (Da)
3.92
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.14
EC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.8 | 6.8 | 159.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.65 | 5.65 | 2220.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.14 | 5.025 | 7237.0 | 2 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 4.82 | 4.82 | 15070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 159.0 | nM | 6.8 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| HEK293 | EC50 | = | 2220.0 | nM | 5.65 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 7237.0 | nM | 5.14 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | IC50 | = | 12258.0 | nM | 4.91 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 15070.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
Data from ChEMBL 36 via Core Engine