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JSTX-3

AlkaPlorer ID: AK070151

Synonym: 'Joro spider toxin 3', 'Neurotoxin 3 (Nephila clavata)', 'Joro spider toxin', 'Jorotoxin 3', 'JSTX-3', 'JSTX 3'

IUPAC Name: (2S)-N-[5-[3-[4-(3-aminopropylamino)butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

Structure

SMILES: N=C(O)C[C@H](N=C(O)CC1=CC=C(O)C=C1O)C(O)=NCCCCCN=C(O)CCNCCCCNCCCN

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InChI: InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1

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InChIKey: SJLRBGDPTALRDM-QFIPXVFZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 565.7160000000002

TPSA？: 232.39000000000004

MolLogP？: 2.6723700000000017

Number of H-Donors: 10

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Fibroblast Growth Rate -1.0 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.16 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.49 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.85 None 10.6019/CHEMBL5303304
Homo sapiens Glutamate receptor AMPA 1/2 Inhibition 0.0 % 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor AMPA 2/3 Inhibition 0.0 % 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 1 IC50 40.0 nM 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 1 Inhibition 88.0 % 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 3 IC50 30.0 nM 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 3 Inhibition 96.0 % 10.1016/j.bmc.2009.12.072
Homo sapiens HEK-293T Growth Rate -1.0 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate -0.96 None 10.6019/CHEMBL5303304
Homo sapiens MDA-MB-231 Ki 190.0 nM 10.1021/jm0101040
Homo sapiens U2OS Growth Rate -0.97 None 10.6019/CHEMBL5303304
Rattus norvegicus Glutamate [NMDA] receptor subunit epsilon 1 IC50 1710.0 nM 10.1021/jm301255m
Rattus norvegicus Glutamate receptor ionotropic, AMPA Inhibition 4.3 % 10.1016/s0960-894x(01)00530-3
Rattus norvegicus Glutamate receptor ionotropic, AMPA 1 IC50 65.0 nM 10.1021/jm301255m
Rattus norvegicus Glutamate receptor ionotropic, AMPA 3 Inhibition 79.7 % 10.1016/s0960-894x(01)00530-3
Rattus norvegicus Glutamate receptor ionotropic kainate 1 IC50 19.0 nM 10.1021/jm301255m
None Unchecked Inhibition 82.0 % 10.1016/j.bmc.2009.12.072

Metabolism Information