Compound Detail
CHEMBL1329450
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Basic Information
| ChEMBL ID | CHEMBL1329450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJHDFVPJMNSKHT-UHFFFAOYSA-N |
2
Targets
4
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)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.91
IC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.95 | 5.95 | 1124.9 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.91 | 4.8767 | 12208.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 1124.93 | nM | 5.95 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Unchecked | EC50 | = | 12208.0 | nM | 4.91 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 13965.0 | nM | 4.86 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 13852.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine