Compound Detail
CHEMBL567132
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Basic Information
| ChEMBL ID | CHEMBL567132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYZTWBPKCRNLCK-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
4.61
ALogP
6
HBA
1
HBD
56.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.53
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.53 | 5.505 | 2983.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.52 | 5.52 | 3001.0 | 1 |
| Cruzipain CHEMBL3563 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.66 | 4.66 | 21661.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 2983.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3001.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 3293.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Cruzipain | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of Trypanosoma cruzi cruzain by Flexstation microplate spectrofluorim... | 19908840 |
| Streptococcus | EC50 | = | 21661.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908840 | 10.1021/jm901070c | Cruzipain | 1 |
| 19908840 | 10.1021/jm901070c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine