Compound Detail
CHEMBL1507172
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Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)c2c1
Basic Information
| ChEMBL ID | CHEMBL1507172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYYDIRAMLLWGJX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
5.26
ALogP
7
HBA
2
HBD
127.1
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.15 | 5.945 | 709.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 709.0 | nM | 6.15 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 55 | IC50 | = | 1822.65 | nM | 5.74 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
Data from ChEMBL 36 via Core Engine