Compound Detail
CHEMBL1372770
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Basic Information
| ChEMBL ID | CHEMBL1372770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POGCDQMDUOSOKA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
5.06
ALogP
7
HBA
2
HBD
101.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.25 | 5.75 | 560.7 | 2 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 560.66 | nM | 6.25 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| G-protein coupled receptor 35 | IC50 | = | 5680.0 | nM | 5.25 | PUBCHEM_BIOASSAY: SAR Analysis for the identification of Selective Antagonists o... | - |
| G-protein coupled receptor 55 | IC50 | = | 11700.0 | nM | 4.93 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
Data from ChEMBL 36 via Core Engine