Compound Detail
CHEMBL4203265
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
C=C(CCC=C(C)C)C(O)Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c3cc(O)ccc3oc12
Basic Information
| ChEMBL ID | CHEMBL4203265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITBYKCNYFABTPS-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
5.78
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Ki 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha glucosidase CHEMBL3833502 | Ki | 5.09 | 5.09 | 8200.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.05 | 5.05 | 8900.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha glucosidase | Ki | = | 8200.0 | nM | 5.09 | Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dix... | 29306546 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 8900.0 | nM | 5.05 | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherich... | 29306546 |
| Alpha glucosidase | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate measur... | 29306546 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherich... | 29306546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29306546 | 10.1016/j.bmc.2017.12.043 | Alpha glucosidase | 3 |
| 29306546 | 10.1016/j.bmc.2017.12.043 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
Data from ChEMBL 36 via Core Engine