Compound Detail
CHEMBL2178917
NEPHILA SPIDER TOXIN 3 Enter ChEMBL ID:
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N=C(N)NCCC[C@H](N)C(=O)NCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Basic Information
| ChEMBL ID | CHEMBL2178917 |
| Name | NEPHILA SPIDER TOXIN 3 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWMLZLXWSGWYGY-GOTSBHOMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
664.8
MW (Da)
-2.13
ALogP
10
HBA
12
HBD
299.9
PSA (Ų)
0.03
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 1 CHEMBL3753 | IC50 | 6.86 | 6.86 | 137.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | IC50 | 6.79 | 6.79 | 164.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2A CHEMBL310 | IC50 | 5.27 | 5.27 | 5406.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 1 | IC50 | = | 137.0 | nM | 6.86 | Antagonist activity at rat GluA1 receptor expressed in Xenopus oocytes at membra... | 23092360 |
| Glutamate receptor ionotropic, kainate 1 | IC50 | = | 164.0 | nM | 6.79 | Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membra... | 23092360 |
| Glutamate receptor ionotropic, NMDA 2A | IC50 | = | 5406.0 | nM | 5.27 | 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 | 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