Compound Detail
CHEMBL45769
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Basic Information
| ChEMBL ID | CHEMBL45769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAWIFPQLACUTSO-QCUWZOMOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
-0.53
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL3118 | Ki | 7.41 | 6.3 | 39.0 | 2 |
| Adenosylhomocysteinase CHEMBL2389 | Ki | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 39.0 | nM | 7.41 | Compound was tested for its inhibitory activity against recombinant rat liver S-... | - |
| Adenosylhomocysteinase | Ki | = | 550.0 | nM | 6.26 | Activity determined in mouse liver S-adenosyl-L-homocysteine hydrolase and expre... | 1995889 |
| Adenosylhomocysteinase | Ki | = | 6500.0 | nM | 5.19 | Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and express... | 1995889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995889 | 10.1021/jm00106a028 | Adenosylhomocysteinase | 5 |
| - | 10.1016/S0960-894X(00)80467-9 | Adenosylhomocysteinase | 2 |
| 1995889 | 10.1021/jm00106a028 | Moloney murine leukemia virus | 1 |
| 8691429 | 10.1021/jm950916u | Adenosylhomocysteinase | 1 |
| - | 10.1016/S0960-894X(00)80467-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine