Compound Detail
CHEMBL1417731
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Basic Information
| ChEMBL ID | CHEMBL1417731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZIWULKUNIZNMX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.9
MW (Da)
4.05
ALogP
5
HBA
1
HBD
70.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.74
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.74 | 6.74 | 181.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.59 | 6.59 | 257.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.5 | 6.5 | 317.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.44 | 6.41 | 360.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 181.0 | nM | 6.74 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 257.0 | nM | 6.59 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptococcus sp. 'group A' | EC50 | = | 317.0 | nM | 6.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 360.0 | nM | 6.44 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 420.0 | nM | 6.38 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine