Compound Detail
CHEMBL1593888
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Basic Information
| ChEMBL ID | CHEMBL1593888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUPVITJALNDBTF-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.32
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.13
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 7.13 | 7.13 | 74.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.43 | 6.09 | 374.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.99 | 5.99 | 1021.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.73 | 5.73 | 1850.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 4.62 | 4.62 | 23855.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 74.0 | nM | 7.13 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Trypanosoma cruzi | IC50 | = | 170.0 | nM | 6.77 | Antitrypanosomal activity against intracellular Trypanosoma cruzi infected in hu... | 36607408 |
| Unchecked | EC50 | = | 374.0 | nM | 6.43 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1021.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 1758.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Streptococcus | EC50 | = | 1850.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Type-1 angiotensin II receptor | IC50 | = | 23855.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36607408 | 10.1021/acs.jmedchem.2c00775 | Trypanosoma cruzi | 1 |
| 36607408 | 10.1021/acs.jmedchem.2c00775 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine