Compound Detail
CHEMBL340297
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 | CHEMBL340297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOLFJCSELDRAPA-OAQYLSRUSA-N |
1
Targets
2
Activities
2
Assay Types
11
PK Parameters
4
Publications
0
Known Names
Molecular Properties
481.0
MW (Da)
4.30
ALogP
6
HBA
2
HBD
95.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.17
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL1910 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Adenosine deaminase CHEMBL1910 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 260.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 260.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 643.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | - | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | - | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 436.59 | nM | Rattus norvegicus |
| Cmax | 436.59 | nM | Rattus norvegicus |
| F | 10.0 | % | Rattus norvegicus |
| F | 10.0 | % | Rattus norvegicus |
| F | - | % | Canis lupus familiaris |
| T1/2 | 1.09 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 4.9 | nM | 8.31 | Inhibition of human adenosine deaminase (ADA) | 15239652 |
| Adenosine deaminase | IC50 | = | 6.7 | nM | 8.17 | Inhibitory concentration against adenosine deaminase | 16033254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033254 | 10.1021/jm050413g | ADMET | 8 |
| 15239652 | 10.1021/jm0306374 | Rattus norvegicus | 3 |
| 15239652 | 10.1021/jm0306374 | Adenosine deaminase | 1 |
| 16033254 | 10.1021/jm050413g | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine