Compound Detail
CHEMBL378806
MULBERROFURAN C 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
CC1=C[C@@H](c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1
Basic Information
| ChEMBL ID | CHEMBL378806 |
| Name | MULBERROFURAN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTGKDESIYCVAOP-UNTHUGQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
580.6
MW (Da)
6.76
ALogP
9
HBA
7
HBD
171.8
PSA (Ų)
0.09
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.31 | 5.31 | 4900.0 | 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 | = | 4900.0 | nM | 5.31 | Inhibition of PTP1B | 16356713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32652408 | 10.1016/j.ejmech.2020.112541 | Human alphaherpesvirus 1 | 2 |
| 16356713 | 10.1016/j.bmcl.2005.11.071 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 16356713 | 10.1016/j.bmcl.2005.11.071 | Dual specificity protein phosphatase 3 | 1 |
| 16356713 | 10.1016/j.bmcl.2005.11.071 | Unchecked | 1 |
| 32652408 | 10.1016/j.ejmech.2020.112541 | Human alphaherpesvirus 2 | 1 |
Data from ChEMBL 36 via Core Engine