Compound Detail
CHEMBL4854258
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
N=C1C(=O)NC(=O)c2cc(-c3ccc(OCCCCOC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)sc21
Basic Information
| ChEMBL ID | CHEMBL4854258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGGKHNPAHKHGQE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
5.36
ALogP
7
HBA
2
HBD
105.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 3 CHEMBL4162 | IC50 | 5.3 | 5.3 | 4980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 4980.0 | nM | 5.3 | Inhibition of recombinant human PTP4A3 | 34089839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34089839 | 10.1016/j.bmcl.2021.128167 | Protein tyrosine phosphatase type IVA 3 | 1 |
Data from ChEMBL 36 via Core Engine