Compound Detail
CHEMBL4202457
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Basic Information
| ChEMBL ID | CHEMBL4202457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSJYEDVMTHJAPI-GXFFZTMASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.3
MW (Da)
2.73
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 0.6 | nM | 9.22 | Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosi... | 28951094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28951094 | 10.1016/j.bmc.2017.09.015 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine