Compound Detail
CHEMBL2093950
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Basic Information
| ChEMBL ID | CHEMBL2093950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBZQFUNLCALWDY-GPUHXXMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
-1.38
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against S-adenosyl-homocysteine hydrolase | 6283083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6283083 | 10.1021/jm00343a021 | L929 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 6283083 | 10.1021/jm00343a021 | Adenosylhomocysteinase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine