Compound Detail
CHEMBL4522713
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Basic Information
| ChEMBL ID | CHEMBL4522713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUAKSBCCEPGFJH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
4.66
ALogP
4
HBA
1
HBD
53.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-adenosylmethionine synthase isoform type-2 CHEMBL3313835 | IC50 | 7.0 | 6.435 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-adenosylmethionine synthase isoform type-2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant His6-tagged MAT2A (unknown origin) expressed in SF9 in... | - |
| S-adenosylmethionine synthase isoform type-2 | IC50 | = | 1340.0 | nM | 5.87 | Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cell... | 33829783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33829783 | 10.1021/acs.jmedchem.0c01895 | S-adenosylmethionine synthase isoform type-2 | 2 |
Data from ChEMBL 36 via Core Engine