Compound Detail
CHEMBL63311
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Basic Information
| ChEMBL ID | CHEMBL63311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKOIRYNJVRCWLG-LPBLVHEISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
-0.46
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 5.12 | 5.085 | 7670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 7670.0 | nM | 5.12 | Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM1... | 21226494 |
| Adenosylhomocysteinase | IC50 | = | 8900.0 | nM | 5.05 | In vitro inhibitory activity against recombinant S-adenosyl-L-homocysteine hydro... | 15080985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21226494 | 10.1021/jm1010836 | Adenosylhomocysteinase | 2 |
| 15080985 | 10.1016/j.bmcl.2004.02.039 | Adenosylhomocysteinase | 1 |
Data from ChEMBL 36 via Core Engine