Compound Detail
CHEMBL43664
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
Basic Information
| ChEMBL ID | CHEMBL43664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJZKDNLUHNLJEZ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.37
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.52 | 6.17 | 300.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.0 | 5.3 | 1000.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.62 | 5.48 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 300.0 | nM | 6.52 | Ability to inhibit ionophore A-23,187-induced TXB2 production in human whole blo... | 9171872 |
| Prostaglandin G/H synthase 1 | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibitory activity against Prostaglandin G/H synthase 1 in retinoic ac... | 9171872 |
| Homo sapiens | IC50 | = | 1500.0 | nM | 5.82 | Ability to inhibit LPS-induced PGE-2 production in human whole blood | 9171872 |
| Prostaglandin G/H synthase 2 | IC50 | = | 2400.0 | nM | 5.62 | In vitro inhibitory activity against Prostaglandin G/H synthase 2 in IL-1-stimul... | 9171872 |
| Prostaglandin G/H synthase 2 | IC50 | = | 4600.0 | nM | 5.34 | In vitro inhibitory activity against human prostaglandin G/H synthase 2 | 9171872 |
| Prostaglandin G/H synthase 1 | IC50 | = | 25000.0 | nM | 4.6 | In vitro inhibitory activity against human prostaglandin G/H synthase 1 | 9171872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9171872 | 10.1021/jm970036a | Prostaglandin G/H synthase 2 | 2 |
| 9171872 | 10.1021/jm970036a | Prostaglandin G/H synthase 1 | 2 |
| 9171872 | 10.1021/jm970036a | Homo sapiens | 2 |
Data from ChEMBL 36 via Core Engine