Compound Detail
CHEMBL436338
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Basic Information
| ChEMBL ID | CHEMBL436338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLOWFLRSSQTNBK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
4.52
ALogP
8
HBA
1
HBD
113.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.75 | 16000.0 | 2 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL4650 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
| Phosphodiesterase 1 CHEMBL2111322 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of rat brain cytosolic cAMP phosphodiesterase | 6292419 |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of rat brain cytosolic cAMP phosphodiesterase | 6292419 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of rat brain particulate cGMP phosphodiesterase | 6292419 |
| Phosphodiesterase 1 | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of rat brain cytosolic 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