Compound Detail
CHEMBL1457590
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Basic Information
| ChEMBL ID | CHEMBL1457590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXJADVLOOHFQQE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1621648 |
| Active Moiety | CHEMBL1621648 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.3
MW (Da)
3.17
ALogP
7
HBA
2
HBD
107.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.77
IC50 1 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.91 | 5.91 | 1219.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.77 | 4.77 | 16860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 1219.18 | nM | 5.91 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Unchecked | EC50 | = | 16860.0 | nM | 4.77 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
Data from ChEMBL 36 via Core Engine