Compound Detail
CHEMBL53914
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 | CHEMBL53914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJZHXQCENKNTDW-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.2
MW (Da)
2.16
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.79
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | EC50 | 6.79 | 5.6833 | 162.2 | 3 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.4 | 5.4 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 162.18 | nM | 6.79 | Agonist activity at recombinant human GPR17 short isoform transfected in CHO cel... | - |
| Glutamate NMDA receptor | IC50 | = | 4000.0 | nM | 5.4 | Ability to compete with [3H]glycine for strychnine-insensitive binding sites on ... | 1534125 |
| Glutamate NMDA receptor | IC50 | = | 4000.0 | nM | 5.4 | Displacement of [3H]glycine from NMDA receptor in rat cortical and hippocampal m... | 30048589 |
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 7413.1 | nM | 5.13 | Agonist activity at recombinant human GPR17 short isoform transfected in human 1... | - |
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 7410.0 | nM | 5.13 | Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as indu... | 30048589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Uracil nucleotide/cysteinyl leukotriene receptor | 2 |
| 1534125 | 10.1021/jm00088a014 | Glutamate NMDA receptor | 1 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine