Compound Detail
CHEMBL571199
NEOLIGNAN 9-NOR-7,8-DEHYDRO-ISOLICARIN B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL571199 |
| Name | NEOLIGNAN 9-NOR-7,8-DEHYDRO-ISOLICARIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHQQIGTXXBIMFB-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
4.57
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.48 | 5.48 | 3320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3320.0 | nM | 5.48 | Inhibition of ovine COX-2 assessed as inhibition of transformation of AA to PGH2... | 19880317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19880317 | 10.1016/j.bmcl.2009.10.069 | NON-PROTEIN TARGET | 3 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Unchecked | 2 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 1 | 1 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine