Compound Detail
CHEMBL254451
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CNc1ccccc1C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(O)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(O)(O)=S
Basic Information
| ChEMBL ID | CHEMBL254451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWBLCWDRCHABMO-LSCFUAHRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
657.4
MW (Da)
0.52
ALogP
16
HBA
7
HBD
274.4
PSA (Ų)
0.11
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.72 | 7.72 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 19.0 | nM | 7.72 | Inhibition of adenylyl cyclase | 17329110 |
| Unchecked | Ki | = | 19.05 | nM | 7.72 | Inhibition of adenylyl cyclase | 17329110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17329110 | 10.1016/j.bmc.2007.02.014 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine