Compound Detail
CHEMBL4859703
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Basic Information
| ChEMBL ID | CHEMBL4859703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMPPFRFXVLJIEW-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.67
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Kd 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-adenosylmethionine synthase isoform type-2 CHEMBL3313835 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
| S-adenosylmethionine synthase isoform type-2 CHEMBL3313835 | Kd | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-adenosylmethionine synthase isoform type-2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of MAT2A (unknown origin) mass spectrometry-based ultrafiltration ass... | 33829783 |
| S-adenosylmethionine synthase isoform type-2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cell... | 33829783 |
| S-adenosylmethionine synthase isoform type-2 | Kd | = | 70000.0 | nM | 4.16 | Binding affinity to MAT2A (unknown origin) by surface plasmon resonance assay | 33829783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33829783 | 10.1021/acs.jmedchem.0c01895 | S-adenosylmethionine synthase isoform type-2 | 4 |
Data from ChEMBL 36 via Core Engine