Compound Detail
CHEMBL45537
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Basic Information
| ChEMBL ID | CHEMBL45537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYLIWHYUXAJDOJ-UPHRSURJSA-N |
1
Targets
6
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
205.2
MW (Da)
-0.04
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
EC50 2 meas.
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | Ki | 6.9 | 6.9 | 125.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 125.0 | nM | 6.9 | Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase | 3411600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2848125 | 10.1021/jm00120a010 | DNA polymerase catalytic subunit | 4 |
| 3411600 | 10.1021/jm00117a011 | Adenosylhomocysteinase | 3 |
| 1992143 | 10.1021/jm00105a064 | Mus musculus | 3 |
| 2848125 | 10.1021/jm00120a010 | Oryctolagus cuniculus | 2 |
| 1992143 | 10.1021/jm00105a064 | L1210 | 2 |
| 1992143 | 10.1021/jm00105a064 | Unchecked | 2 |
| 2848125 | 10.1021/jm00120a010 | HeLa | 1 |
| 2848125 | 10.1021/jm00120a010 | Unchecked | 1 |
| 3411600 | 10.1021/jm00117a011 | Vaccinia virus | 1 |
| 7525958 | 10.1021/jm00048a010 | MT4 | 1 |
| 1992143 | 10.1021/jm00105a064 | PO3 | 1 |
| 1992143 | 10.1021/jm00105a064 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine