Compound Detail
CHEMBL2437368
LICOAGRODIN 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
CC(C)=CCc1cc([C@]23Oc4cc(O)c(CC=C(C)C)cc4C(=O)[C@H]2[C@H]2c4ccc(O)cc4O[C@@H]4Oc5c(ccc(O)c5CC=C(C)C)[C@@]42O3)ccc1O
Basic Information
| ChEMBL ID | CHEMBL2437368 |
| Name | LICOAGRODIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUNNUKJWKPJUCQ-AHJAKLPMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
728.8
MW (Da)
8.90
ALogP
9
HBA
4
HBD
134.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 11500.0 | nM | 4.94 | 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 | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine