Drug Information

Drug General Information
Drug ID
D09AEV
Former ID
DNC009489
Drug Name
Neo-kauluamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528342]
Structure
Download
2D MOL

3D MOL
Formula
C72H90N8O6
Canonical SMILES
C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC56N4CCC(C(CC5)OCC78C<br />N9CCCCC=CCCC(C7N1CCCC(C(O6)CC1)O)(C=C(C8CC9)C1=NC=CC2=C<br />1NC1=CC=CC=C21)O)O)O)C1=NC=CC2=C1NC1=CC=CC=C21
InChI
1S/C72H90N8O6/c81-58-22-17-37-79-40-29-61(58)86-72-32-23-60(85-47-69-46-78-36-16-8-3-1-5-13-30-70(83,66(69)79)42-53(55(69)27-39-78)63-65-51(25-34-74-63)49-19-10-12-21-57(49)76-65)59(82)28-41-80(72)67-68(44-72)45-77-35-15-7-4-2-6-14-31-71(67,84)43-52(54(68)26-38-77)62-64-50(24-33-73-62)48-18-9-11-20-56(48)75-64/h1-2,5-6,9-12,18-21,24-25,33-34,42-43,54-55,58-61,66-67,75-76,81-84H,3-4,7-8,13-17,22-23,26-32,35-41,44-47H2/b5-1-,6-2-/t54-,55-,58+,59-,60+,61-,66+,67+,68-,69+,70-,71-,72+/m0/s1
InChIKey
QBYWKABDYAEEIS-VZMZVYMRSA-N
PubChem Compound ID
44448144
PubChem Substance ID
103562372, 134346694, 180399163
Target and Pathway
Target(s) Glycogen synthase kinase-3 beta Target Info Inhibitor [528342]
KEGG Pathway ErbB signaling pathway
Chemokine signaling pathway
Cell cycle
PI3K-Akt signaling pathway
Wnt signaling pathway
Hedgehog signaling pathway
Axon guidance
Hippo signaling pathway
Focal adhesion
Signaling pathways regulating pluripotency of stem cells
T cell receptor signaling pathway
B cell receptor signaling pathway
Neurotrophin signaling pathway
Dopaminergic synapse
Insulin signaling pathway
Melanogenesis
Prolactin signaling pathway
Thyroid hormone signaling pathway
Non-alcoholic fatty liver disease (NAFLD)
Alzheimer's disease
Hepatitis C
Measles
Influenza A
HTLV-I infection
Epstein-Barr virus infection
Pathways in cancer
Colorectal cancer
Endometrial cancer
Prostate cancer
Basal cell carcinoma
PANTHER Pathway Alzheimer disease-presenilin pathway
Angiogenesis
Cadherin signaling pathway
Hedgehog signaling pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Insulin/IGF pathway-protein kinase B signaling cascade
Interleukin signaling pathway
PDGF signaling pathway
PI3 kinase pathway
Wnt signaling pathway
Ras Pathway
CCKR signaling map ST
Pathway Interaction Database LPA receptor mediated events
Degradation of beta catenin
Reelin signaling pathway
Presenilin action in Notch and Wnt signaling
Integrin-linked kinase signaling
CDC42 signaling events
LKB1 signaling events
Canonical Wnt signaling pathway
Role of Calcineurin-dependent NFAT signaling in lymphocytes
Glucocorticoid receptor regulatory network
C-MYC pathway
Regulation of Androgen receptor activity
BMP receptor signaling
Hedgehog signaling events mediated by Gli proteins
Signaling events mediated by Stem cell factor receptor (c-Kit)
Validated transcriptional targets of deltaNp63 isoforms
Aurora A signaling
Insulin-mediated glucose transport
Class I PI3K signaling events mediated by Akt
p53 pathway
Trk receptor signaling mediated by PI3K and PLC-gamma
Reactome Degradation of beta-catenin by the destruction complex
AKT phosphorylates targets in the cytosol
Regulation of HSF1-mediated heat shock response
CRMPs in Sema3A signaling
Disassembly of the destruction complex and recruitment of AXIN to the membrane
S33 mutants of beta-catenin aren't phosphorylated
S37 mutants of beta-catenin aren't phosphorylated
S45 mutants of beta-catenin aren't phosphorylated
T41 mutants of beta-catenin aren't phosphorylated
Degradation of GLI2 by the proteasome
Constitutive Signaling by AKT1 E17K in Cancer
WikiPathways DNA Damage Response (only ATM dependent)
Senescence and Autophagy in Cancer
Notch Signaling Pathway
Glycogen Metabolism
Insulin Signaling
Wnt Signaling Pathway
Wnt Signaling Pathway and Pluripotency
IL-6 signaling pathway
Wnt Signaling Pathway Netpath
Copper homeostasis
Focal Adhesion
Hair Follicle Development: Induction (Part 1 of 3)
Cardiac Hypertrophic Response
Degradation of beta-catenin by the destruction complex
T-Cell Receptor and Co-stimulatory Signaling
Cardiac Progenitor Differentiation
BDNF signaling pathway
Corticotropin-releasing hormone
B Cell Receptor Signaling Pathway
IL17 signaling pathway
Neural Crest Differentiation
Alzheimers Disease
IL-7 Signaling Pathway
Regulation of Microtubule Cytoskeleton
TWEAK Signaling Pathway
Leptin signaling pathway
Semaphorin interactions
Cell Cycle
MicroRNAs in cardiomyocyte hypertrophy
Androgen receptor signaling pathway
IL-5 Signaling Pathway
References
Ref 528342J Nat Prod. 2006 Jul;69(7):1034-40.Manzamine B and E and ircinal A related alkaloids from an Indonesian Acanthostrongylophora sponge and their activity against infectious, tropical parasitic, and Alzheimer's diseases.
Ref 528342J Nat Prod. 2006 Jul;69(7):1034-40.Manzamine B and E and ircinal A related alkaloids from an Indonesian Acanthostrongylophora sponge and their activity against infectious, tropical parasitic, and Alzheimer's diseases.

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