Compound Detail
CHEMBL417506
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
Basic Information
| ChEMBL ID | CHEMBL417506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYLHXLNYWJSQMG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
3.70
ALogP
6
HBA
3
HBD
99.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP deaminase 2 CHEMBL2997 | Ki | 6.07 | 6.07 | 860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP deaminase 2 | Ki | = | 860.0 | nM | 6.07 | Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monop... | 10780906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780906 | 10.1021/jm990447m | AMP deaminase 2 | 1 |
| 10780906 | 10.1021/jm990447m | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine