Compound Detail
CHEMBL3655780
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Basic Information
| ChEMBL ID | CHEMBL3655780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSENBHMOZDDBTJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.8
MW (Da)
2.76
ALogP
8
HBA
0
HBD
77.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 8.09 | 8.09 | 8.2 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 8.19 | nM | 8.09 | Inhibition Assay: The activity of the test substances on human full-length PDE2A... | - |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 8.2 | nM | 8.09 | Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 ... | 29293004 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 8.19 | nM | 8.09 | Inhibition Assay: The activity of the test substances on human full-length PDE2A... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29293004 | 10.1021/acs.jmedchem.7b01466 | Unchecked | 10 |
| 29293004 | 10.1021/acs.jmedchem.7b01466 | Rattus norvegicus | 2 |
| 29293004 | 10.1021/acs.jmedchem.7b01466 | No relevant target | 1 |
| 29293004 | 10.1021/acs.jmedchem.7b01466 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 29293004 | 10.1021/acs.jmedchem.7b01466 | Liver | 1 |
| 29293004 | 10.1021/acs.jmedchem.7b01466 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine