Compound Detail
CHEMBL1673313
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Basic Information
| ChEMBL ID | CHEMBL1673313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUQQHTDRBVFZGY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.70
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human PDE4 after 30 mins | 20625148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20625148 | 10.1128/aac.00313-10 | ADMET | 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