Compound Detail
CHEMBL1466352
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Basic Information
| ChEMBL ID | CHEMBL1466352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEDWTSPDIWXPOU-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.3
MW (Da)
4.58
ALogP
4
HBA
1
HBD
33.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.0
IC50 2 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.88 | 5.88 | 1312.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.0 | 5.0 | 9957.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.92 | 4.92 | 11881.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 1312.01 | nM | 5.88 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Streptococcus sp. 'group A' | EC50 | = | 9957.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 10200.0 | nM | 4.99 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Streptokinase A | EC50 | = | 11881.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine