Compound Detail
CHEMBL3194024
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Basic Information
| ChEMBL ID | CHEMBL3194024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFZAWWOBQBBLGO-XGJDHLGVSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
4.46
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.66
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.41 | 5.41 | 3919.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.22 | 5.22 | 5995.6 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.97 | 4.97 | 10704.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 220.0 | nM | 6.66 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3919.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| G-protein coupled receptor 55 | IC50 | = | 5995.63 | nM | 5.22 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Streptokinase A | EC50 | = | 10704.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine