Compound Detail
CHEMBL5842631
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Basic Information
| ChEMBL ID | CHEMBL5842631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHJZUHLOFQJDRE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
3.50
ALogP
6
HBA
1
HBD
76.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | Ki | 9.92 | 9.82 | 0.1 | 2 |
| Unchecked CHEMBL612545 | Ki | 9.8 | 9.71 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 0.12 | nM | 9.92 | Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc... | - |
| Unchecked | Ki | = | 0.16 | nM | 9.8 | Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc... | - |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 0.19 | nM | 9.72 | Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc... | - |
| Unchecked | Ki | = | 0.24 | nM | 9.62 | Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc... | - |
Data from ChEMBL 36 via Core Engine