Compound Detail
CHEMBL4555739
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COc1ccc(CCc2nnc(-c3ccc(OC(C)C(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4555739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFIUMAIHXAULFH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
4.93
ALogP
8
HBA
1
HBD
96.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta CHEMBL3860 | IC50 | 7.6 | 7.6 | 25.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | IC50 | = | 25.2 | nM | 7.6 | Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Esch... | 30562696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30562696 | 10.1016/j.ejmech.2018.12.018 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 1 |
| 30562696 | 10.1016/j.ejmech.2018.12.018 | A549 | 1 |
Data from ChEMBL 36 via Core Engine