Drug Information

Drug General Information
Drug ID
D0BW7P
Former ID
DNC009017
Drug Name
SM-131
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529809]
Structure
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2D MOL

3D MOL
Formula
C27H34N4O3
Canonical SMILES
CCC(C(=O)NC1CCCC2CCC(N2C1=O)C(=O)N(C3=CC=CC=C3)C4=CC=CC<br />=C4)NC
InChI
1S/C27H34N4O3/c1-3-22(28-2)25(32)29-23-16-10-15-21-17-18-24(31(21)26(23)33)27(34)30(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-24,28H,3,10,15-18H2,1-2H3,(H,29,32)/t21-,22-,23-,24-/m0/s1
InChIKey
MIWHOUGMEANWCH-ZJZGAYNASA-N
PubChem Compound ID
44589292
Target and Pathway
Target(s) mRNA of Apoptosis-2 Target Info Inhibitor [529809]
mRNA of Inhibitor of apoptosis protein Target Info Inhibitor [529809]
KEGG Pathway NF-kappa B signaling pathway
Ubiquitin mediated proteolysis
Apoptosis
Focal adhesion
NOD-like receptor signaling pathway
TNF signaling pathway
Toxoplasmosis
Pathways in cancer
Transcriptional misregulation in cancer
Small cell lung cancerhsa04064:NF-kappa B signaling pathway
HTLV-I infection
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 pathway
CCKR signaling map STP00006:Apoptosis signaling pathway
Pathway Interaction Database CD40/CD40L signaling
FAS (CD95) signaling pathway
TNF receptor signaling pathway
Ceramide signaling pathway
p75(NTR)-mediated signaling
C-MYB transcription factor network
HIV-1 Nef: Negative effector of Fas and TNF-alpha
Caspase Cascade in Apoptosisp75ntrpathway:p75(NTR)-mediated signaling
BMP receptor signaling
Caspase Cascade in Apoptosis
TGF-beta receptor signaling
Reactome NOD1/2 Signaling Pathway
RIPK1-mediated regulated necrosis
Regulation of TNFR1 signaling
TNFR1-induced NFkappaB 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 RIP1R-HSA-111463:SMAC binds to IAPs
SMAC-mediated dissociation of IAP:caspase complexes
Deactivation of the beta-catenin transactivating complex
WikiPathways Focal Adhesion
Apoptosis
TNF alpha Signaling Pathway
TWEAK Signaling Pathway
Apoptosis Modulation and SignalingWP3286:Copper homeostasis
Intrinsic Pathway for Apoptosis
Apoptosis Modulation and Signaling
NOD pathway
References
Ref 529809J Med Chem. 2008 Dec 11;51(23):7352-5.Design, synthesis, and evaluation of tricyclic, conformationally constrained small-molecule mimetics of second mitochondria-derived activator of caspases.
Ref 529809J Med Chem. 2008 Dec 11;51(23):7352-5.Design, synthesis, and evaluation of tricyclic, conformationally constrained small-molecule mimetics of second mitochondria-derived activator of caspases.

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