Compound Detail
CHEMBL1331520
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Basic Information
| ChEMBL ID | CHEMBL1331520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYMMPSMEFYDBOC-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.64
ALogP
5
HBA
0
HBD
67.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.51
IC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 5.51 | 5.51 | 3060.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.38 | 5.22 | 4211.0 | 3 |
| Cyclic nucleotide specific phosphodiesterase CHEMBL1681621 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 3060.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Trypanosoma cruzi | IC50 | = | 3300.0 | nM | 5.48 | Antimicrobial activity against Trypanosoma cruzi Y infected in rat L6E9 myoblast... | 20625148 |
| Unchecked | EC50 | = | 4211.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Cyclic nucleotide specific phosphodiesterase | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of Trypanosoma cruzi Y PDEC after 30 mins | 20625148 |
| Unchecked | EC50 | = | 7021.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 7481.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20625148 | 10.1128/aac.00313-10 | Cyclic nucleotide specific phosphodiesterase | 1 |
| 20625148 | 10.1128/aac.00313-10 | Trypanosoma cruzi | 1 |
| 20625148 | 10.1128/aac.00313-10 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine