Compound Detail
CHEMBL229220
ABYSSINOFLAVANONE VII Enter ChEMBL ID:
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C=C(C)C(O)Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1O
Basic Information
| ChEMBL ID | CHEMBL229220 |
| Name | ABYSSINOFLAVANONE VII |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZUJHUDJFJCWMT-BPARTEKVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
4.50
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.8 | 4.8 | 15700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3500.0 | nM | 5.46 | Cytotoxicity against rat H4IIE cells after 24 hrs by MTT assay | 18302333 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 15700.0 | nM | 4.8 | Inhibition of human recombinant PTP1B | 17489632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18302333 | 10.1021/np070417j | NON-PROTEIN TARGET | 3 |
| 17489632 | 10.1021/np060477+ | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine