Compound Detail
CHEMBL5952857
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5952857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFXAOLUJJPGTRO-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
2.74
ALogP
6
HBA
3
HBD
131.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, cytosolic CHEMBL1772927 | IC50 | 8.77 | 8.695 | 1.7 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.77 | 8.72 | 1.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.7 | nM | 8.77 | Inhibition of Human SHMT: For the SHMT1 and SHMT2 in vitro enzymatic assays, the... | - |
| Unchecked | IC50 | = | 1.7 | nM | 8.77 | Inhibition of Human SHMT: Inhibition of human SHMT by compounds in this disclosu... | - |
| Serine hydroxymethyltransferase, cytosolic | IC50 | = | 1.7 | nM | 8.77 | Enzymatic Assay: For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of ... | - |
| Serine hydroxymethyltransferase, cytosolic | IC50 | = | 2.4 | nM | 8.62 | Inhibition of Human SHMT: For the SHMT1 and SHMT2 in vitro enzymatic assays, the... | - |
| Unchecked | IC50 | = | 2.4 | nM | 8.62 | Enzymatic Assay: For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of ... | - |
Data from ChEMBL 36 via Core Engine