Compound Detail
CHEMBL1323770
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Basic Information
| ChEMBL ID | CHEMBL1323770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUYVUBWXXGSUOB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
3.38
ALogP
3
HBA
2
HBD
54.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.01 | 6.01 | 968.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.64 | 5.64 | 2289.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 968.53 | nM | 6.01 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Unchecked | EC50 | = | 2289.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
Data from ChEMBL 36 via Core Engine