Compound Detail
CHEMBL4759667
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CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCS(=N)(=O)CC4)ccc3OCC)nn12
Basic Information
| ChEMBL ID | CHEMBL4759667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SULSFJQHLIQKLR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
1.80
ALogP
9
HBA
2
HBD
150.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 10.6 | 10.6 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.025 | nM | 10.6 | Inhibition of human platelets derived PDE5 using [3H]-cGMP as substrate incubate... | 32870008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32870008 | 10.1021/acs.jmedchem.0c00960 | ADMET | 2 |
| 32870008 | 10.1021/acs.jmedchem.0c00960 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine