Compound Detail
CHEMBL395336
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL395336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOOGRGPOEVQQDX-UUOKFMHZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
345.2
MW (Da)
-1.52
ALogP
10
HBA
4
HBD
174.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3B CHEMBL5129 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3B | IC50 | = | 100.0 | nM | 7.0 | Inhibition of bovine arterial Phosphodiesterase 3 | 8568820 |
| Phosphodiesterase 3 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of canine heart Phosphodiesterase 3 | 8568820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17665892 | 10.1021/jm0702581 | Unchecked | 2 |
| 11447229 | 10.1074/jbc.m104833200 | ATP-binding cassette sub-family C member 4 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 8568820 | 10.1021/jm950197j | Phosphodiesterase 3 | 1 |
| 8568820 | 10.1021/jm950197j | Phosphodiesterase 3B | 1 |
| 20190787 | 10.1038/nrd3028 | ATP-binding cassette sub-family C member 4 | 1 |
| 9228014 | 10.1074/jbc.272.30.18526 | Solute carrier family 22 member 6 | 1 |
| 12695538 | 10.1124/mol.63.5.1094 | ATP-binding cassette sub-family C member 5 | 1 |
| 12036927 | - | ATP-binding cassette sub-family C member 4 | 1 |
| 12695538 | 10.1124/mol.63.5.1094 | ATP-binding cassette sub-family C member 4 | 1 |
| 15537867 | 10.1124/mol.104.007138 | ATP-binding cassette sub-family C member 11 | 1 |
| 10893247 | 10.1074/jbc.m005463200 | ATP-binding cassette sub-family C member 5 | 1 |
| 22190696 | 10.1124/dmd.111.042036 | Solute carrier family 22 member 7 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine