Compound Detail
CHEMBL13696
FR-221647 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL13696 |
| Name | FR-221647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUYUIKKHHBEVHL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
1.15
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL1910 | Ki | 5.23 | 5.23 | 5900.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 29600.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 29900.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 97180.98 | nM | Mus musculus |
| Cmax | 58617.1 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 5900.0 | nM | 5.23 | Inhibition constant against human adenosine deaminase was determined | 12643924 |
| Adenosine deaminase | Ki | = | 5900.0 | nM | 5.23 | Inhibition of human adenosine deaminase (ADA) | 15239652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643924 | 10.1016/s0960-894x(03)00026-x | Mus musculus | 4 |
| 12643924 | 10.1016/s0960-894x(03)00026-x | Adenosine deaminase | 1 |
| 15239652 | 10.1021/jm0306374 | Adenosine deaminase | 1 |
| 17399989 | 10.1016/j.bmc.2007.03.048 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine