Compound Detail
CHEMBL1673321
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Basic Information
| ChEMBL ID | CHEMBL1673321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCXCVHQAXFKJIK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
3.52
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclic nucleotide specific phosphodiesterase CHEMBL1681621 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclic nucleotide specific phosphodiesterase | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of Trypanosoma cruzi Y PDEC after 30 mins | 20625148 |
| Trypanosoma cruzi | IC50 | = | 25000.0 | nM | 4.6 | Antimicrobial activity against Trypanosoma cruzi Y infected in rat L6E9 myoblast... | 20625148 |
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