Compound Detail
CHEMBL455962
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Basic Information
| ChEMBL ID | CHEMBL455962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXWMZHBBTHFMRN-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
4.85
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclic nucleotide specific phosphodiesterase CHEMBL1681621 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 4.03 | 4.03 | 93000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclic nucleotide specific phosphodiesterase | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of Trypanosoma cruzi Y PDEC after 30 mins | 20625148 |
| Trypanosoma cruzi | IC50 | = | 3800.0 | nM | 5.42 | Antimicrobial activity against Trypanosoma cruzi Y infected in rat L6E9 myoblast... | 20625148 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liq... | 19049349 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 93325.43 | nM | 4.03 | Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liq... | 19049349 |
| Phosphodiesterase 4 | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of human PDE4 after 30 mins | 20625148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Unchecked | 1 |
| 20625148 | 10.1128/aac.00313-10 | Phosphodiesterase 4 | 1 |
| 20625148 | 10.1128/aac.00313-10 | Cyclic nucleotide specific phosphodiesterase | 1 |
| 20625148 | 10.1128/aac.00313-10 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine