Compound Detail
CHEMBL2178919
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NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL2178919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILUCYJIKJBTHOD-VWLOTQADSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
572.8
MW (Da)
0.17
ALogP
7
HBA
8
HBD
196.3
PSA (Ų)
0.09
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | IC50 | 9.55 | 9.32 | 0.3 | 2 |
| Glutamate receptor 1 CHEMBL3753 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2A CHEMBL310 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | IC50 | = | 0.28 | nM | 9.55 | Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes by two-el... | 23092360 |
| Glutamate receptor ionotropic, kainate 1 | IC50 | = | 0.82 | nM | 9.09 | Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membra... | 23092360 |
| Glutamate receptor 1 | IC50 | = | 27.0 | nM | 7.57 | Antagonist activity at rat GluA1 receptor expressed in Xenopus oocytes at membra... | 23092360 |
| Glutamate receptor ionotropic, NMDA 2A | IC50 | = | 150.0 | nM | 6.82 | Antagonist activity at rat glutamate N1/2A receptor expressed in Xenopus oocytes... | 23092360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23092360 | 10.1021/jm301255m | Glutamate receptor ionotropic, kainate 1 | 2 |
| 23092360 | 10.1021/jm301255m | Glutamate receptor 1 | 1 |
| 23092360 | 10.1021/jm301255m | Glutamate receptor ionotropic, NMDA 2A | 1 |
Data from ChEMBL 36 via Core Engine