Compound Detail
CHEMBL1709028
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Basic Information
| ChEMBL ID | CHEMBL1709028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNHOWVNWMKVGHF-DEDYPNTBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
2.98
ALogP
6
HBA
2
HBD
80.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1010.0 | nM | 6.0 | PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the GPR35 Receptor using an Ima... | - |
| G-protein coupled receptor 55 | IC50 | = | 15100.0 | nM | 4.82 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
Data from ChEMBL 36 via Core Engine