Compound Detail
CHEMBL430774
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Basic Information
| ChEMBL ID | CHEMBL430774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXVAIWUZNZMMBB-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
-2.35
ALogP
9
HBA
5
HBD
150.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.6
IC50 2 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | EC50 | 4.6 | 4.385 | 25000.0 | 2 |
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | EC50 | = | 25000.0 | nM | 4.6 | Concentration that reduces Rauscher murine leukemia virus titer by 50% | 1992143 |
| Adenosylhomocysteinase | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of S-adenosyl-homocysteine (AdoHcy)hydrolase from rabbit erythrocytes | 2842505 |
| Mus musculus | EC50 | = | 67300.0 | nM | 4.17 | Concentration that reduces Friend murine leukemia virus titer by 50% | 1992143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992143 | 10.1021/jm00105a064 | NON-PROTEIN TARGET | 6 |
| 1992143 | 10.1021/jm00105a064 | Mus musculus | 4 |
| 2842505 | 10.1021/jm00117a021 | Human alphaherpesvirus 1 | 2 |
| 2842505 | 10.1021/jm00117a021 | Human alphaherpesvirus 2 | 2 |
| 2842505 | 10.1021/jm00117a021 | Vaccinia virus | 2 |
| 2842505 | 10.1021/jm00117a021 | HEp-2 | 1 |
| 2842505 | 10.1021/jm00117a021 | Adenosylhomocysteinase | 1 |
| 1992143 | 10.1021/jm00105a064 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine