Compound Detail
CHEMBL231952
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Basic Information
| ChEMBL ID | CHEMBL231952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRVWQDQRJFAPMW-KQYNXXCUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
-2.30
ALogP
9
HBA
5
HBD
174.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 5.12 | 5.12 | 7530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 7530.0 | nM | 5.12 | Inhibition of human recombinant placental SAH | 17582766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17582766 | 10.1016/j.bmcl.2007.06.013 | Adenosylhomocysteinase | 1 |
Data from ChEMBL 36 via Core Engine