Compound Detail
CHEMBL49204
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Basic Information
| ChEMBL ID | CHEMBL49204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOUXHHRRBXETSM-XNWSGGPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
265.2
MW (Da)
-0.07
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL3118 | Ki | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 112.0 | nM | 6.95 | Compound was tested for its inhibitory activity against recombinant rat liver S-... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80467-9 | Adenosylhomocysteinase | 2 |
| - | 10.1016/S0960-894X(00)80467-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine