Compound Detail
CHEMBL1516792
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Basic Information
| ChEMBL ID | CHEMBL1516792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAJMPMKBHSKAKY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
5.28
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 5.98 | 5.98 | 1040.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.66 | 5.66 | 2210.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.78 | 4.78 | 16791.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.32 | 4.32 | 48340.0 | 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 | = | 1040.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| Unchecked | EC50 | = | 2210.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptokinase A | EC50 | = | 16791.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 48340.0 | nM | 4.32 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine