Agelenopsis aperta Indoleacetylpentamine toxins; Agel 416a, N5-(3-Aminopropyl), N2-hydroxy
AlkaPlorer ID: AK117212
Synonym: Agel 489, AG 489
IUPAC Name: N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
Structure
SMILES: NCCCNCCCCNCCCNCCCN(O)CCCN=C(O)CC1=CNC2=CC=CC=C12
InChI: InChI=1S/C26H47N7O2/c27-11-5-14-28-12-3-4-13-29-15-6-16-30-17-7-19-33(35)20-8-18-31-26(34)21-23-22-32-25-10-2-1-9-24(23)25/h1-2,9-10,22,28-30,32,35H,3-8,11-21,27H2,(H,31,34)
InChIKey: LIURIBSBVUMOJS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelenopsis aperta | Agelenopsis | Agelenidae | Araneae | Arachnida | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 489.7090000000002
TPSA？: 133.96
MolLogP？: 2.426200000000004
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Glutamate NMDA receptor; Grin1/Grin2a | IC50 | 12.0 | nM | 10.1021/jm5004705 |
| Rattus norvegicus | Glutamate NMDA receptor; Grin1/Grin2a | Inhibition | 90.0 | % | 10.1021/jm5004705 |
| Rattus norvegicus | Glutamate receptor ionotropic, AMPA 1 | IC50 | 11.0 | nM | 10.1021/jm5004705 |