Compound Detail
CHEMBL458297
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Basic Information
| ChEMBL ID | CHEMBL458297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHDDCAWVDPQOFB-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.83
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.46 | 6.46 | 346.7 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Cyclic nucleotide specific phosphodiesterase CHEMBL1681621 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 350.0 | nM | 6.46 | Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liq... | 19049349 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 346.74 | nM | 6.46 | Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liq... | 19049349 |
| Phosphodiesterase 4 | IC50 | = | 350.0 | nM | 6.46 | Inhibition of human PDE4 after 30 mins | 20625148 |
| Trypanosoma cruzi | IC50 | = | 1600.0 | nM | 5.8 | Antimicrobial activity against Trypanosoma cruzi Y infected in rat L6E9 myoblast... | 20625148 |
| Cyclic nucleotide specific phosphodiesterase | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of Trypanosoma cruzi Y PDEC after 30 mins | 20625148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20625148 | 10.1128/aac.00313-10 | Cyclic nucleotide specific phosphodiesterase | 5 |
| 19049349 | 10.1021/jm701635j | 3',5'-cyclic-AMP phosphodiesterase 4D | 2 |
| 20625148 | 10.1128/aac.00313-10 | ADMET | 1 |
| 20625148 | 10.1128/aac.00313-10 | Phosphodiesterase 4 | 1 |
| 20625148 | 10.1128/aac.00313-10 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine