Compound Detail
CHEMBL34169
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O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(O)nc3)N2C(=O)CN1[C@@H]1CCN(Cc2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL34169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHJCIJAYYGBMRP-PRNYMFJNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
3.23
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.9 | 6.9 | 127.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 39.0 | nM | 7.41 | Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombina... | 12668004 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 127.0 | nM | 6.9 | Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpu... | 12668004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12668004 | 10.1016/s0960-894x(03)00159-8 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 12668004 | 10.1016/s0960-894x(03)00159-8 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 12668004 | 10.1016/s0960-894x(03)00159-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine