Compound Detail
CHEMBL1507657
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Basic Information
| ChEMBL ID | CHEMBL1507657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHEVDMHYABXIBV-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.00
ALogP
6
HBA
0
HBD
62.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.07
EC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.07 | 5.9633 | 860.0 | 3 |
| Protein RecA CHEMBL1741171 | EC50 | 4.53 | 4.53 | 29600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 860.0 | nM | 6.07 | Antagonist activity at human GPR55 expressed in human U2OS cells assessed as inh... | 36655130 |
| G-protein coupled receptor 55 | IC50 | = | 865.0 | nM | 6.06 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 55 | IC50 | = | 1742.42 | nM | 5.76 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Protein RecA | EC50 | = | 29600.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36655130 | 10.1021/acsmedchemlett.2c00325 | G-protein coupled receptor 55 | 1 |
Data from ChEMBL 36 via Core Engine