Compound Detail
CHEMBL1357976
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Basic Information
| ChEMBL ID | CHEMBL1357976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMHDSRSSYCCXAU-DURWOYGOSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.40
ALogP
5
HBA
2
HBD
103.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.9
EC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.9 | 5.46 | 1263.2 | 2 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.29 | 4.29 | 51200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1263.19 | nM | 5.9 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| G-protein coupled receptor 35 | IC50 | = | 9535.0 | nM | 5.02 | PUBCHEM_BIOASSAY: SAR Analysis for the identification of Selective Antagonists o... | - |
| G-protein coupled receptor 55 | IC50 | = | 12900.0 | nM | 4.89 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| Protein RecA | EC50 | = | 51200.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Data from ChEMBL 36 via Core Engine