Compound Detail
CHEMBL4093680
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Basic Information
| ChEMBL ID | CHEMBL4093680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKTADONLSLLGMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.8
MW (Da)
3.49
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 33.0 | nM | 7.48 | Inhibition of recombinant human full-length His-tagged PDE2A3 expressed in fall ... | 28796496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28796496 | 10.1021/acs.jmedchem.7b00807 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 28796496 | 10.1021/acs.jmedchem.7b00807 | Unchecked | 1 |
| 28796496 | 10.1021/acs.jmedchem.7b00807 | No relevant target | 1 |
| 28796496 | 10.1021/acs.jmedchem.7b00807 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine