Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0I1KQ
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| Former ID |
DNC009006
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| Drug Name |
NEUROPEPTIDE-Y
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Discontinued in Phase 2 | [522433] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C189H285N55O57S
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C<br />(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)N<br />C(CCCNC(=N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CC2<br />=CC=C(C=C2)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCCNC(=N)N)NC(=<br />O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O<br />)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)N<br />C(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(<br />C)NC(=O)C6CCCN6C(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)<br />O)NC(=O)CNC(=O)C7CCCN7C(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC<br />(=O)C8CCCN8C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C9CCCN9C(=O)C(<br />CC1=CC=C(C=C1)O)N
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| InChI |
1S/C190H286N54O58/c1-16-94(9)149(180(296)234-129(81-140(193)253)169(285)226-124(74-93(7)8)172(288)239-150(95(10)17-2)181(297)240-151(100(15)247)182(298)221-116(32-23-67-208-190(202)203)156(272)220-119(59-62-145(260)261)161(277)218-114(30-21-65-206-188(198)199)157(273)223-121(152(195)268)76-102-39-49-108(249)50-40-102)238-173(289)127(79-105-45-55-111(252)56-46-105)229-168(284)128(80-106-86-204-90-210-106)230-159(275)115(31-22-66-207-189(200)201)219-165(281)123(73-92(5)6)224-155(271)97(12)212-174(290)134(88-245)236-167(283)126(78-104-43-53-110(251)54-44-104)228-166(282)125(77-103-41-51-109(250)52-42-103)227-158(274)113(29-20-64-205-187(196)197)216-153(269)96(11)211-163(279)122(72-91(3)4)225-170(286)131(84-147(264)265)232-162(278)118(58-61-144(258)259)217-154(270)98(13)213-177(293)137-34-25-68-241(137)183(299)99(14)214-164(280)130(83-146(262)263)231-160(276)117(57-60-143(256)257)215-142(255)87-209-176(292)136-33-24-70-243(136)186(302)133(82-141(194)254)235-171(287)132(85-148(266)267)233-178(294)139-36-27-71-244(139)185(301)120(28-18-19-63-191)222-175(291)135(89-246)237-179(295)138-35-26-69-242(138)184(300)112(192)75-101-37-47-107(248)48-38-101/h37-56,86,90-100,112-139,149-151,245-252H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H2,195,268)(H,204,210)(H,209,292)(H,211,279)(H,212,290)(H,213,293)(H,214,280)(H,215,255)(H,216,269)(H,217,270)(H,218,277)(H,219,281)(H,220,272)(H,221,298)(H,222,291)(H,223,273)(H,224,271)(H,225,286)(H,226,285)(H,227,274)(H,228,282)(H,229,284)(H,230,275)(H,231,276)(H,232,278)(H,233,294)(H,234,296)(H,235,287)(H,236,283)(H,237,295)(H,238,289)(H,239,288)(H,240,297)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-/m0/s1
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| InChIKey |
JYLKGTCHMPLCES-OFGSCBOVSA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Neuropeptide Y receptor type 1 | Target Info | Inhibitor | [529844] | |
| Neuropeptide Y receptor type 2 | Target Info | Inhibitor | [529789] | ||
| NetPath Pathway | FSH Signaling Pathway | ||||
| References | |||||
| Ref 529789 | J Med Chem. 2008 Nov 27;51(22):7094-8.cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain responses against carrageenan-induced hyperalgesia. | ||||
| Ref 529844 | J Med Chem. 2008 Dec 25;51(24):8168-72.Guanidine-acylguanidine bioisosteric approach in the design of radioligands: synthesis of a tritium-labeled N(G)-propionylargininamide ([3H]-UR-MK114) as a highly potent and selective neuropeptide Y Y1 receptor antagonist. | ||||
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