Compound Detail
CHEMBL2114400
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Basic Information
| ChEMBL ID | CHEMBL2114400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWQRCMSFOIOESI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL38224 |
| Active Moiety | CHEMBL38224 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
1.53
ALogP
3
HBA
2
HBD
70.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase; PDE3 & PDE4 CHEMBL2095153 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase; PDE3 & PDE4 | IC50 | = | 73.0 | nM | 7.14 | Inhibition of Sarcoplasmic Reticulum cAMP Phosphodiesterase from canine myocardi... | 3033241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3033241 | 10.1021/jm00388a014 | Canis familiaris | 3 |
| 3033241 | 10.1021/jm00388a014 | Phosphodiesterase; PDE3 & PDE4 | 1 |
Data from ChEMBL 36 via Core Engine