Compound Detail
CHEMBL81285
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CCCOc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1-c1nc(O)c2c(NCc3ccc(F)cc3)nc3nn(Cc4ccc(OC)cc4)cc3c2n1
Basic Information
| ChEMBL ID | CHEMBL81285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHJQVZCBKBFYOE-HHHXNRCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
740.9
MW (Da)
5.67
ALogP
12
HBA
2
HBD
147.8
PSA (Ų)
0.15
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.7 | nM | 8.77 | Inhibition of PDE5 from human platelets | 11549447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549447 | 10.1016/s0960-894x(01)00466-8 | Unchecked | 4 |
| 11549447 | 10.1016/s0960-894x(01)00466-8 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 11549447 | 10.1016/s0960-894x(01)00466-8 | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | 1 |
Data from ChEMBL 36 via Core Engine