Compound Detail
CHEMBL4098417
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O=C1c2ccccc2N[C@H](c2ccccc2F)N1CCN1CCC(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2F)CC1
Basic Information
| ChEMBL ID | CHEMBL4098417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMXNWFRGUZJFLG-LQJZCPKCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
593.7
MW (Da)
6.26
ALogP
5
HBA
2
HBD
67.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.95
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 | 5.95 | 5.95 | 1119.0 | 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 | = | 1119.0 | nM | 5.95 | Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incuba... | 28929751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28929751 | 10.1021/acs.jmedchem.7b01243 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 1 |
Data from ChEMBL 36 via Core Engine