Compound Detail
CHEMBL1410009
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Basic Information
| ChEMBL ID | CHEMBL1410009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUCHTVNTVVERBZ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
5.24
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.64
IC50 3 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.17 | 6.09 | 678.2 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.64 | 5.1033 | 2305.0 | 3 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.57 | 5.57 | 2710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 678.23 | nM | 6.17 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| G-protein coupled receptor 55 | IC50 | = | 978.0 | nM | 6.01 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| Unchecked | EC50 | = | 2305.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Cannabinoid receptor 1 | IC50 | = | 2710.0 | nM | 5.57 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| Unchecked | EC50 | = | 14544.0 | nM | 4.84 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 14741.0 | nM | 4.83 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine