Compound Detail
CHEMBL464646
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 | CHEMBL464646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIBLOJFUIMXLIF-FEHMIHBQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
327.5
MW (Da)
4.10
ALogP
3
HBA
1
HBD
60.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.88 | 4.72 | 13200.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13200.0 | nM | 4.88 | Inhibition of SOAT-mediated oleic acid-induced [14C]cholesterol ester accumulati... | 31253530 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherich... | 27336796 |
| Unchecked | IC50 | = | 27500.0 | nM | 4.56 | Inhibition of DGAT-mediated oleic acid-induced [14C]neutral lipid synthesis in C... | 31253530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31253530 | 10.1016/j.bmcl.2019.06.026 | Unchecked | 2 |
| - | 10.1021/np50069a027 | Agrobacterium tumefaciens | 1 |
| - | 10.1021/np50069a027 | Artemia | 1 |
| - | 10.1021/np50069a027 | Staphylococcus aureus | 1 |
| 27336796 | 10.1021/acs.jnatprod.6b00367 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 31253530 | 10.1016/j.bmcl.2019.06.026 | CHO-K1 | 1 |
Data from ChEMBL 36 via Core Engine