Drug Information

Drug General Information
Drug ID
D0Q7TL
Former ID
DNC009053
Drug Name
SM-122
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531078]
Structure
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2D MOL

3D MOL
Formula
C28H36N4O3
Canonical SMILES
CC(C(=O)NC1CCCCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=C<br />C=C4)NC
InChI
1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1
InChIKey
XBTLZUHJBOBKRG-HCUBDLJJSA-N
PubChem Compound ID
24754886
Target and Pathway
Target(s) mRNA of Inhibitor of apoptosis protein Target Info Inhibitor [531078]
mRNA of Apoptosis-2 Target Info Inhibitor [531078]
KEGG Pathway NF-kappa B signaling pathway
Ubiquitin mediated proteolysis
Apoptosis
Focal adhesion
Toxoplasmosis
HTLV-I infection
Pathways in cancer
Small cell lung cancerhsa04064:NF-kappa B signaling pathway
NOD-like receptor signaling pathway
TNF signaling pathway
Transcriptional misregulation in cancer
Small cell lung cancer
NetPath Pathway IL5 Signaling Pathway
IL1 Signaling Pathway
IL2 Signaling Pathway
TNFalpha Signaling Pathway
Notch Signaling Pathway
TCR Signaling Pathway
PANTHER Pathway Apoptosis signaling pathwayP00006:Apoptosis signaling pathway
CCKR signaling map ST
Pathway Interaction Database p75(NTR)-mediated signaling
BMP receptor signaling
Caspase Cascade in Apoptosis
TGF-beta receptor signalingcd40_pathway:CD40/CD40L signaling
FAS (CD95) signaling pathway
TNF receptor signaling pathway
Ceramide signaling pathway
C-MYB transcription factor network
HIV-1 Nef: Negative effector of Fas and TNF-alpha
Reactome SMAC binds to IAPs
SMAC-mediated dissociation of IAP:caspase complexes
Deactivation of the beta-catenin transactivating complex
RIPK1-mediated regulated necrosis
Regulation of TNFR1 signaling
TNFR1-induced NFkappaB signaling pathway
Regulation of necroptotic cell deathR-HSA-168638:NOD1/2 Signaling Pathway
TNFR2 non-canonical NF-kB pathway
Regulation of necroptotic cell death
TNF receptor superfamily (TNFSF) members mediating non-canonical NF-kB pathway
IKK complex recruitment mediated by RIP1
WikiPathways Copper homeostasis
Focal Adhesion
Apoptosis
Intrinsic Pathway for Apoptosis
Apoptosis Modulation and Signaling
NOD pathwayWP306:Focal Adhesion
TNF alpha Signaling Pathway
TWEAK Signaling Pathway
References
Ref 531078J Med Chem. 2010 Sep 9;53(17):6361-7.Nonpeptidic and potent small-molecule inhibitors of cIAP-1/2 and XIAP proteins.
Ref 531078J Med Chem. 2010 Sep 9;53(17):6361-7.Nonpeptidic and potent small-molecule inhibitors of cIAP-1/2 and XIAP proteins.

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