Compound Detail
CHEMBL399171
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CNc1ccccc1C(=O)O[C@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H]1n1cnc2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL399171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIKBTKVHFQDBSF-CVGURMSBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
1.09
ALogP
12
HBA
3
HBD
172.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 100000.0 | nM | 4.0 | Inhibition of adenylyl cyclase | 17329110 |
| Unchecked | Ki | = | 100000.0 | nM | 4.0 | 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