Compound Detail
CHEMBL2178918
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C[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Basic Information
| ChEMBL ID | CHEMBL2178918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNTNLKHZOXOWHR-HRNNMHKYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
792.9
MW (Da)
-3.51
ALogP
12
HBA
14
HBD
358.1
PSA (Ų)
0.02
QED
3
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 1 CHEMBL3753 | IC50 | 5.97 | 5.97 | 1078.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | IC50 | 5.59 | 5.59 | 2575.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 1 | IC50 | = | 1078.0 | nM | 5.97 | Antagonist activity at rat GluA1 receptor expressed in Xenopus oocytes at membra... | 23092360 |
| Glutamate receptor ionotropic, kainate 1 | IC50 | = | 2575.0 | nM | 5.59 | Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membra... | 23092360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23092360 | 10.1021/jm301255m | Glutamate receptor ionotropic, kainate 1 | 1 |
| 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