NPTX 1
AlkaPlorer ID: AK168218
Synonym: 'Nephilatoxin 1'
IUPAC Name: (2S)-N-[5-[3-[4-(3-aminopropylamino)butylamino]propanoylamino]pentyl]-2-[[2-(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide
Structure
SMILES: N=C(O)C[C@H](N=C(O)CC1=CNC2=CC=CC(O)=C12)C(O)=NCCCCCN=C(O)CCNCCCCNCCCN
InChI: InChI=1S/C29H48N8O5/c30-11-7-14-32-12-4-5-13-33-17-10-26(40)34-15-2-1-3-16-35-29(42)23(19-25(31)39)37-27(41)18-21-20-36-22-8-6-9-24(38)28(21)22/h6,8-9,20,23,32-33,36,38H,1-5,7,10-19,30H2,(H2,31,39)(H,34,40)(H,35,42)(H,37,41)/t23-/m0/s1
InChIKey: ZBWQBTGXGZUFNG-QHCPKHFHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 588.7540000000001
TPSA？: 227.95000000000005
MolLogP？: 3.448070000000002
Number of H-Donors: 10
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Glutamate [NMDA] receptor subunit epsilon 1 | IC50 | 1390.0 | nM | 10.1021/jm301255m |
| Rattus norvegicus | Glutamate receptor ionotropic, AMPA 1 | IC50 | 51.0 | nM | 10.1021/jm301255m |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 1 | IC50 | 0.19 | nM | 10.1021/jm301255m |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 1 | IC50 | 0.33 | nM | 10.1021/jm301255m |
| None | Unchecked | Ratio IC50 | 150.0 | None | 10.1021/jm301255m |
| None | Unchecked | Ratio IC50 | 40000.0 | None | 10.1021/jm301255m |