Compound Detail
CHEMBL4083506
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 | CHEMBL4083506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPNNZCKKJSFKKB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.3
MW (Da)
4.20
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, cytosolic CHEMBL1772927 | IC50 | 6.23 | 6.075 | 593.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.23 | 6.075 | 593.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, cytosolic | IC50 | = | 593.0 | nM | 6.23 | Inhibition of Human SHMT: For the SHMT1 and SHMT2 in vitro enzymatic assays, the... | - |
| Unchecked | IC50 | = | 593.0 | nM | 6.23 | Enzymatic Assay: For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of ... | - |
| Unchecked | IC50 | = | 1193.0 | nM | 5.92 | Inhibition of Human SHMT: For the SHMT1 and SHMT2 in vitro enzymatic assays, the... | - |
| Serine hydroxymethyltransferase, cytosolic | IC50 | = | 1193.0 | nM | 5.92 | Enzymatic Assay: For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28537728 | 10.1021/acs.jmedchem.7b00008 | Liver | 1 |
Data from ChEMBL 36 via Core Engine