Compound Detail
CHEMBL1609946
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Basic Information
| ChEMBL ID | CHEMBL1609946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUFOPRMZJLNZFJ-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
3.82
ALogP
8
HBA
1
HBD
123.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.92
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.72 | 6.72 | 192.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.37 | 6.37 | 430.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.01 | 5.71 | 965.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9063.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 120.0 | nM | 6.92 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 192.0 | nM | 6.72 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 430.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 965.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 3917.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Unchecked | IC50 | = | 9063.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine