Compound Detail
CHEMBL555297
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 | CHEMBL555297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFEJJSAHPYKAPW-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
4.97
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
EC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.96 | 4.925 | 11000.0 | 2 |
| GABA-A receptor; GABA-A site (alpha1/beta2 interface) CHEMBL1907597 | EC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of 5LOX-mediated LTB4 formation in stimulated human polymorphonuclear... | 19481465 |
| Prostaglandin G/H synthase 1 | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of COX1 in ram seminal vesicle by enzyme immunoassay | 19481465 |
| RAW264.7 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of LPS-induced NO production in mouse RAW264.7 cells after 24 hrs by ... | 22494844 |
| GABA-A receptor; GABA-A site (alpha1/beta2 interface) | EC50 | = | 12700.0 | nM | 4.9 | Modulation of GABA Aalpha1beta2 receptor expressed in Xenopus laevis oocytes ass... | 21699169 |
| RAW264.7 | IC50 | = | 13000.0 | nM | 4.89 | Cytotoxicity against mouse RAW264.7 cells assessed as cell viability by propidiu... | 22494844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21699169 | 10.1021/jm200186n | GABA-A receptor; GABA-A site (alpha1/beta2 interface) | 3 |
| 19481465 | 10.1016/j.bmc.2009.05.018 | Prostaglandin G/H synthase 1 | 2 |
| 19481465 | 10.1016/j.bmc.2009.05.018 | Prostaglandin G/H synthase 2 | 2 |
| 19481465 | 10.1016/j.bmc.2009.05.018 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 22494844 | 10.1016/j.bmc.2012.03.028 | Prostaglandin G/H synthase 2 | 2 |
| 22494844 | 10.1016/j.bmc.2012.03.028 | RAW264.7 | 2 |
| 21699169 | 10.1021/jm200186n | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine