Compound Detail
CHEMBL1518491
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Basic Information
| ChEMBL ID | CHEMBL1518491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFKJYBCOIQYEPX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.9
MW (Da)
5.30
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.81
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.67
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.22 | 6.22 | 598.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.67 | 5.67 | 2114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 598.02 | nM | 6.22 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Unchecked | EC50 | = | 2114.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
Data from ChEMBL 36 via Core Engine