Compound Detail
CHEMBL5595364
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CCN(CC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5595364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFDOZBJZBWIIFR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
633.6
MW (Da)
7.06
ALogP
5
HBA
0
HBD
87.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta CHEMBL3860 | Kd | 8.82 | 8.82 | 1.5 | 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 | Kd | = | 1.5 | nM | 8.82 | Displacement of fluorescein-labeled Atorvastatin from N-terminal His6 tagged hum... | 38758695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38758695 | 10.1021/acs.jmedchem.3c02129 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 1 |
Data from ChEMBL 36 via Core Engine