Compound Detail
CHEMBL4128897
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Basic Information
| ChEMBL ID | CHEMBL4128897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGUMOIRRKNFJCZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.73
ALogP
7
HBA
2
HBD
94.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B CHEMBL4425 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | IC50 | = | 27.0 | nM | 7.57 | Inhibition of full length recombinant human PDE1B1 using 3',5'-[3H]cAMP as subst... | 29718668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29718668 | 10.1021/acs.jmedchem.8b00374 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | 1 |
Data from ChEMBL 36 via Core Engine