Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0I7YL
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| Former ID |
DNC001254
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| Drug Name |
S1627
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [535912] | ||
| Structure |
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Download2D MOL |
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| Formula |
C257H363N61O72
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=<br />O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O<br/>)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=<br />O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(=<br />O)O)C(=O)NC(CCCCN)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C)<br />C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC4=CNC5=CC=CC=C54)C(<br />=O)NC(CCC(=O)O)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)NC(CC8=C<br />C=CC=C8)C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(CCC(=<br />O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=<br />O)C(C)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C(CCCCN)NC(=O)<br />C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC9=CNC1=CC=CC=C19)<br />NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CNC2=CC=C<br />C=C21)NC(=O)C.COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3<br />)C(=O)C4=CC=CC=C4)OC
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| InChI |
1S/C235H341N57O67.C22H22N4O5/c1-20-120(13)194(290-218(342)155(69-83-184(246)303)258-198(322)122(15)254-201(325)149(63-77-178(240)297)263-211(335)157(71-85-187(307)308)270-221(345)166(97-117(7)8)280-222(346)164(95-115(3)4)277-199(323)124(17)256-235(359)196(125(18)294)292-234(358)195(121(14)21-2)291-217(341)148(58-38-42-94-239)261-205(329)150(64-78-179(241)298)265-212(336)158(72-86-188(309)310)272-227(351)172(104-131-111-251-142-52-32-27-47-137(131)142)284-215(339)159(73-87-189(311)312)267-208(332)153(67-81-182(244)301)269-226(350)170(257-126(19)295)102-129-109-249-140-50-30-25-45-135(129)140)233(357)275-154(68-82-183(245)302)209(333)264-151(65-79-180(242)299)207(331)266-156(70-84-186(305)306)210(334)260-146(56-36-40-92-237)204(328)287-175(107-185(247)304)230(354)274-161(75-89-191(315)316)214(338)282-169(101-128-59-61-134(296)62-60-128)225(349)271-160(74-88-190(313)314)213(337)279-165(96-116(5)6)220(344)268-152(66-80-181(243)300)206(330)259-145(55-35-39-91-236)202(326)278-167(98-118(9)10)224(348)288-176(108-193(319)320)231(355)262-147(57-37-41-93-238)203(327)283-171(103-130-110-250-141-51-31-26-46-136(130)141)219(343)255-123(16)200(324)289-177(114-293)232(356)281-168(99-119(11)12)223(347)286-173(105-132-112-252-143-53-33-28-48-138(132)143)228(352)273-162(76-90-192(317)318)216(340)285-174(106-133-113-253-144-54-34-29-49-139(133)144)229(353)276-163(197(248)321)100-127-43-23-22-24-44-127;1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h22-34,43-54,59-62,109-113,115-125,145-177,194-196,249-253,293-294,296H,20-21,35-42,55-58,63-108,114,236-239H2,1-19H3,(H2,240,297)(H2,241,298)(H2,242,299)(H2,243,300)(H2,244,301)(H2,245,302)(H2,246,303)(H2,247,304)(H2,248,321)(H,254,325)(H,255,343)(H,256,359)(H,257,295)(H,258,322)(H,259,330)(H,260,334)(H,261,329)(H,262,355)(H,263,335)(H,264,333)(H,265,336)(H,266,331)(H,267,332)(H,268,344)(H,269,350)(H,270,345)(H,271,349)(H,272,351)(H,273,352)(H,274,354)(H,275,357)(H,276,353)(H,277,323)(H,278,326)(H,279,337)(H,280,346)(H,281,356)(H,282,338)(H,283,327)(H,284,339)(H,285,340)(H,286,347)(H,287,328)(H,288,348)(H,289,324)(H,290,342)(H,291,341)(H,292,358)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320);3-7,12-13,23H,8-11H2,1-2H3/t120-,121-,122-,123-,124-,125+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,194-,195-,196-;/m0./s1
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| InChIKey |
HFYONINHPQMPNL-BENXRZQJSA-N
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| CAS Number |
CAS 251562-00-2
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Inhibitor of nuclear factor kappa-B kinase | Target Info | Inhibitor | [535912] | |
| Reactome | Activation of NF-kappaB in B cells | ||||
| NOD1/2 Signaling Pathway | |||||
| RIP-mediated NFkB activation via ZBP1 | |||||
| AKT phosphorylates targets in the cytosol | |||||
| p75NTR recruits signalling complexes | |||||
| NF-kB is activated and signals survival | |||||
| FCERI mediated NF-kB activation | |||||
| Interleukin-1 signaling | |||||
| Regulation of TNFR1 signaling | |||||
| TNFR1-induced NFkappaB signaling pathway | |||||
| IKBKB deficiency causes SCID | |||||
| IKBKG deficiency causes anhidrotic ectodermal dysplasia with immunodeficiency (EDA-ID) (via TLR) | |||||
| IkBA variant leads to EDA-ID | |||||
| Dectin-1 mediated noncanonical NF-kB signaling | |||||
| CLEC7A (Dectin-1) signaling | |||||
| Constitutive Signaling by AKT1 E17K in Cancer | |||||
| NIK-->noncanonical NF-kB signaling | |||||
| MAP3K8 (TPL2)-dependent MAPK1/3 activation | |||||
| TRAF6 mediated IRF7 activation | |||||
| TRAF6 mediated NF-kB activation | |||||
| NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 | |||||
| Negative regulators of RIG-I/MDA5 signaling | |||||
| Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon | |||||
| IRAK1 recruits IKK complex | |||||
| IKK complex recruitment mediated by RIP1 | |||||
| IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation | |||||
| WikiPathways | Toll-like receptor signaling pathway | ||||
| Estrogen signaling pathway | |||||
| TCR Signaling Pathway | |||||
| Insulin Signaling | |||||
| IL-4 Signaling Pathway | |||||
| MAPK Signaling Pathway | |||||
| NLR Proteins | |||||
| Hair Follicle Development: Induction (Part 1 of 3) | |||||
| MyD88 cascade initiated on plasma membrane | |||||
| Cardiac Hypertrophic Response | |||||
| Cytosolic sensors of pathogen-associated DNA | |||||
| MyD88 dependent cascade initiated on endosome | |||||
| Nucleotide-binding domain, leucine rich repeat containing receptor (NLR) signaling pathways | |||||
| MyD88:Mal cascade initiated on plasma membrane | |||||
| Fc epsilon receptor (FCERI) signaling | |||||
| MyD88-independent cascade | |||||
| Signaling by the B Cell Receptor (BCR) | |||||
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |||||
| Structural Pathway of Interleukin 1 (IL-1) | |||||
| EBV LMP1 signaling | |||||
| Polycystic Kidney Disease Pathway | |||||
| Apoptosis | |||||
| Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis | |||||
| BDNF signaling pathway | |||||
| Interleukin-11 Signaling Pathway | |||||
| AGE/RAGE pathway | |||||
| TNF alpha Signaling Pathway | |||||
| B Cell Receptor Signaling Pathway | |||||
| IL17 signaling pathway | |||||
| TWEAK Signaling Pathway | |||||
| Leptin signaling pathway | |||||
| RANKL/RANK Signaling Pathway | |||||
| Signalling by NGF | |||||
| IL-1 signaling pathway | |||||
| TCR signaling | |||||
| RIG-I/MDA5 mediated induction of IFN-alpha/beta pathways | |||||
| Interleukin-1 signaling | |||||
| Apoptosis Modulation and Signaling | |||||
| Type II diabetes mellitus | |||||
| MicroRNAs in cardiomyocyte hypertrophy | |||||
| Regulation of toll-like receptor signaling pathway | |||||
| Osteopontin Signaling | |||||
| NOD pathway | |||||
| References | |||||
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