Compound Detail
CHEMBL510221
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCCCC(=O)NCCO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL510221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCUBSVDGMFKUET-MOROJQBDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
-2.19
ALogP
11
HBA
6
HBD
197.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Kd | 4.73 | 4.73 | 18700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha | Kd | = | 18700.0 | nM | 4.73 | Binding affinity to PKA catalytic subunit alpha by fluorescence polarization ass... | 19143565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19143565 | 10.1021/jm800797n | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine