Compound Detail
CHEMBL4081035
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Basic Information
| ChEMBL ID | CHEMBL4081035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNYRPUKGCYQBTE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
374.3
MW (Da)
2.50
ALogP
8
HBA
1
HBD
99.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.5 | 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 | = | 11.0 | nM | 7.96 | Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 ... | 29293004 |
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 |
| 29293004 | 10.1021/acs.jmedchem.7b01466 | Plasma | 1 |
| 29293004 | 10.1021/acs.jmedchem.7b01466 | Brain | 1 |
| 29293004 | 10.1021/acs.jmedchem.7b01466 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine