Compound Detail
CHEMBL2437369
LICOAGROAURONE 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 | CHEMBL2437369 |
| Name | LICOAGROAURONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKIZWUHTCYQZHL-ZDLGFXPLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.93
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW480 CHEMBL612544 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.62 | 4.62 | 23900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW480 | IC50 | = | 8200.0 | nM | 5.09 | Cytotoxicity against human SW480 cells assessed as cell growth inhibition incuba... | 35671109 |
| HL-60 | IC50 | = | 19000.0 | nM | 4.72 | Cytotoxicity against human HL-60 cells assessed as cell growth inhibition incuba... | 35671109 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 23900.0 | nM | 4.62 | Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate | 24047800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24047800 | 10.1016/j.bmcl.2013.08.102 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
| 24047800 | 10.1016/j.bmcl.2013.08.102 | Dual specificity protein phosphatase 3 | 1 |
| 24047800 | 10.1016/j.bmcl.2013.08.102 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 35671109 | 10.1021/acs.jnatprod.2c00345 | HL-60 | 1 |
| 35671109 | 10.1021/acs.jnatprod.2c00345 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine