Compound Detail
CHEMBL4532027
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CCC(Oc1ccc(-c2nnc(CCc3ccc(OC)cc3)n2Cc2ccccc2)cc1)C(=O)Nc1cnn(C)c1
Basic Information
| ChEMBL ID | CHEMBL4532027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCXYZCNSKYIILV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
5.32
ALogP
8
HBA
1
HBD
96.1
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
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 | 7.58 | 7.58 | 26.4 | 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 | = | 26.4 | nM | 7.58 | 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