Compound Detail
CHEMBL81378
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Basic Information
| ChEMBL ID | CHEMBL81378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZMKAUPEGUOLDB-PFDYWKIBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
2.08
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 7.29 | 7.29 | 50.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 50.7 | nM | 7.29 | Inhibitory activity against adenosine deaminase in calf intestinal mucosa. | - |
| Adenosine deaminase | Ki | = | 50.7 | nM | 7.29 | Inhibition of Adenosine deaminase (ADA) of calf intestine | 11101360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00439-8 | Adenosine deaminase | 1 |
| 11101360 | 10.1021/jm0002533 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine