Compound Detail
CHEMBL3775104
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Basic Information
| ChEMBL ID | CHEMBL3775104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTUDKEZTBWCJFR-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.96
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.8 | 6.8 | 160.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.24 | 6.24 | 570.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with ... | 26774927 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | In Vitro COX Assay: COX activity was measured using a commercial kit (COX Inhibi... | - |
| Fatty-acid amide hydrolase 1 | IC50 | = | 92.0 | nM | 7.04 | In Vitro Human FAAH Fluorescent Assay: Human recombinant FAAH was obtained from ... | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preinc... | 26774927 |
| Prostaglandin G/H synthase 2 | IC50 | = | 160.0 | nM | 6.8 | In Vitro COX Assay: COX activity was measured using a commercial kit (COX Inhibi... | - |
| Fatty-acid amide hydrolase 1 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 m... | 26774927 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 570.0 | nM | 6.24 | In Vitro Rat FAAH Radiometric Assay: Rat FAAH was prepared from male Sprague Daw... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26774927 | 10.1016/j.ejmech.2015.12.036 | Fatty-acid amide hydrolase 1 | 1 |
| 26774927 | 10.1016/j.ejmech.2015.12.036 | Prostaglandin G/H synthase 1 | 1 |
| 26774927 | 10.1016/j.ejmech.2015.12.036 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine