Compound Detail
CHEMBL276918
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Basic Information
| ChEMBL ID | CHEMBL276918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUVGJRQCCUZTTR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.4
MW (Da)
5.83
ALogP
7
HBA
0
HBD
76.4
PSA (Ų)
0.28
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.77 | 4.585 | 17000.0 | 2 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL4650 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of rat brain cytosolic cAMP phosphodiesterase | 6292419 |
| Unchecked | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of rat brain cytosolic cAMP phosphodiesterase | 6292419 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 96000.0 | nM | 4.02 | Inhibition of rat brain particulate cGMP phosphodiesterase | 6292419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6292419 | 10.1021/jm00352a019 | Unchecked | 4 |
| 6292419 | 10.1021/jm00352a019 | Phosphodiesterase 1 | 1 |
| 6292419 | 10.1021/jm00352a019 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine