Compound Detail
CHEMBL449699
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Basic Information
| ChEMBL ID | CHEMBL449699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAKYHYMPGLTQDH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.85
ALogP
6
HBA
2
HBD
72.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 69000.0 | nM | 4.16 | Inhibition calf intestine adenosine deaminase | 7562937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562937 | 10.1021/jm00020a017 | Human immunodeficiency virus 1 | 1 |
| 7562937 | 10.1021/jm00020a017 | C8166 | 1 |
| 7562937 | 10.1021/jm00020a017 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine