Compound Detail
CHEMBL2070653
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Basic Information
| ChEMBL ID | CHEMBL2070653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYGLUSHREFGBMF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
5
PK Parameters
8
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.97
ALogP
7
HBA
0
HBD
74.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 8.69 | 8.69 | 2.1 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 6.23 | 6.23 | 589.0 | 1 |
| Phosphodiesterase 6 CHEMBL2097163 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL2304402 | IC50 | 5.3 | 5.3 | 4950.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2781.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 18681.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 13.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 0.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 2.06 | nM | 8.69 | Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis | 22902656 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 589.0 | nM | 6.23 | Inhibition of PDE2 | 22902656 |
| Phosphodiesterase 6 | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of PDE6 | 22902656 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 4950.0 | nM | 5.3 | Inhibition of PDE5 | 22902656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22902656 | 10.1016/j.bmcl.2012.07.076 | Rattus norvegicus | 10 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | Phosphodiesterase 3 | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | Phosphodiesterase 4 | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | Phosphodiesterase 6 | 1 |
| 22902656 | 10.1016/j.bmcl.2012.07.076 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine