Compound Detail
CHEMBL2206656
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O=c1[nH]c(=O)n(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL2206656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIRCCHHEDZHGHH-TURQNECASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.7
MW (Da)
-2.56
ALogP
10
HBA
4
HBD
155.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.02 | 4.02 | 94800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 94800.0 | nM | 4.02 | Competitive inhibition of bovine pancreatic RNase A type 12-A assessed as degrad... | 23122937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23122937 | 10.1016/j.bmc.2012.09.067 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine