Compound Detail
CHEMBL2114367
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Basic Information
| ChEMBL ID | CHEMBL2114367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOSAAWHGJUZBOG-GHMZBOCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
2.30
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL1910 | Ki | 6.91 | 6.91 | 122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 122.0 | nM | 6.91 | Compound was evaluated for the inhibition of adenosine deaminase | 7310814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7310814 | 10.1021/jm00144a002 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine