Compound Detail
CHEMBL403094
OHIOENSIN F Enter ChEMBL ID:
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O=C1C[C@]2(O)c3ccccc3O[C@H]3c4cc(O)ccc4-c4c(O)cc(O)c1c4[C@@H]32
Basic Information
| ChEMBL ID | CHEMBL403094 |
| Name | OHIOENSIN F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJDAIJHZTKDLTJ-VABKMULXSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.48
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.46 | 5.46 | 3500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 1500.0 | nM | 5.82 | Inhibition of human recombinant PTP1B by Lineweaver-Burke plot | 18053716 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of human recombinant PTP1B | 18053716 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of GST-tagged human PTP1B expressed in Escherichia coli using pNPP su... | 26960032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18053716 | 10.1016/j.bmcl.2007.11.036 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 26960032 | 10.1021/acs.jnatprod.5b01128 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine