Compound Detail
CHEMBL3286930
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O=C(OC[C@H](C1CCNCC1)n1c(-c2ccccc2)nc2ccccc21)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL3286930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDALFJYWTFDSRP-DIPNUNPCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
638.8
MW (Da)
7.10
ALogP
8
HBA
1
HBD
77.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.11
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 | 10.11 | 10.11 | 0.1 | 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 | = | 0.077 | nM | 10.11 | Binding affinity to PDE-delta (unknown origin) by SPR analysis | 24884780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24884780 | 10.1021/jm500632s | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 1 |
Data from ChEMBL 36 via Core Engine