Compound Detail
CHEMBL1313588
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Basic Information
| ChEMBL ID | CHEMBL1313588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPKMMWQBGWXLHN-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
3.96
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.82
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.82 | 5.82 | 1525.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.77 | 5.77 | 1715.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.62 | 5.62 | 2418.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.07 | 5.07 | 8493.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Streptokinase A | EC50 | = | 1525.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 1715.0 | nM | 5.77 | PubChem BioAssay. Leishmania major promastigote EC50 determinations. (Class of... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2418.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 8493.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine