Compound Detail
CHEMBL283122
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CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(O)c2cc3c(cc2n1)ncn3Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL283122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJTYUWYMRLXRKL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
572.7
MW (Da)
4.13
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.28 | 8.28 | 5.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 5.3 | nM | 8.28 | In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was... | 11150175 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 5.3 | nM | 8.28 | Inhibition of phosphodiesterase type 5 (PDE5) of human platelets | 10753463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753463 | 10.1021/jm000081+ | Unchecked | 4 |
| 11150175 | 10.1021/jm000336j | Unchecked | 3 |
| 11150175 | 10.1021/jm000336j | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 11150175 | 10.1021/jm000336j | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | 1 |
| 11150175 | 10.1021/jm000336j | Phosphodiesterase 4 and 5 (PDE4 and PDE5) | 1 |
| 10753463 | 10.1021/jm000081+ | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 10753463 | 10.1021/jm000081+ | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | 1 |
Data from ChEMBL 36 via Core Engine