Compound Detail
CHEMBL1673330
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Basic Information
| ChEMBL ID | CHEMBL1673330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQBGKCNGZDTZNA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.21
ALogP
7
HBA
1
HBD
93.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclic nucleotide specific phosphodiesterase CHEMBL1681621 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclic nucleotide specific phosphodiesterase | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of Trypanosoma cruzi Y PDEC after 30 mins | 20625148 |
| Trypanosoma cruzi | IC50 | = | 6400.0 | nM | 5.19 | 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