Compound Detail
CHEMBL5185699
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Basic Information
| ChEMBL ID | CHEMBL5185699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIEGMNQMZGWIOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
484.9
MW (Da)
4.96
ALogP
7
HBA
1
HBD
77.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-adenosylmethionine synthase isoform type-2 CHEMBL3313835 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-adenosylmethionine synthase isoform type-2 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of MT2A in MTAP-null human HCT-116 cells after 72 hrs by LC-MS/MS ana... | 35293760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35293760 | 10.1021/acs.jmedchem.1c01595 | ADMET | 3 |
| 35293760 | 10.1021/acs.jmedchem.1c01595 | S-adenosylmethionine synthase isoform type-2 | 2 |
| 35293760 | 10.1021/acs.jmedchem.1c01595 | Nuclear receptor subfamily 1 group I member 2 | 1 |
Data from ChEMBL 36 via Core Engine