Bioactive Compound Details

BioIDbio199278
Name(ALA 2)HUMAN NEUROPEPTIDE Y
ChEMBL IDCHEMBL2371693
Molecular FormulaC178H273N53O56S
Molecular Weight4083.52
Molecular Weight (Monoisotopic)4080.9864
TypeProtein
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)[C@@H](C)CC
InchiInChI=1S/C178H273N53O56S/c1-16-86(7)138(168(280)222-119(74-130(182)240)158(270)214-114(68-85(5)6)161(273)227-139(87(8)17-2)169(281)228-140(93(14)234)170(282)210-106(30-22-61-195-177(188)189)147(259)208-108(51-54-129(181)239)151(263)212-112(174(286)287)31-23-62-196-178(190)191)226-162(274)117(72-97-41-49-102(238)50-42-97)217-157(269)118(73-98-79-192-83-198-98)218-149(261)105(29-21-60-194-176(186)187)207-154(266)113(67-84(3)4)213-143(255)90(11)201-163(275)124(81-232)225-156(268)116(71-96-39-47-101(237)48-40-96)216-155(267)115(70-95-37-45-100(236)46-38-95)215-148(260)104(28-20-59-193-175(184)185)205-141(253)89(10)200-146(258)110(57-66-288-15)209-159(271)121(77-136(249)250)220-152(264)109(53-56-134(245)246)206-142(254)91(12)202-166(278)127-33-25-63-229(127)171(283)92(13)203-153(265)120(76-135(247)248)219-150(262)107(52-55-133(243)244)204-132(242)80-197-165(277)126-32-24-64-230(126)173(285)123(75-131(183)241)223-160(272)122(78-137(251)252)221-167(279)128-34-26-65-231(128)172(284)111(27-18-19-58-179)211-164(276)125(82-233)224-144(256)88(9)199-145(257)103(180)69-94-35-43-99(235)44-36-94/h35-50,79,83-93,103-128,138-140,232-238H,16-34,51-78,80-82,179-180H2,1-15H3,(H2,181,239)(H2,182,240)(H2,183,241)(H,192,198)(H,197,277)(H,199,257)(H,200,258)(H,201,275)(H,202,278)(H,203,265)(H,204,242)(H,205,253)(H,206,254)(H,207,266)(H,208,259)(H,209,271)(H,210,282)(H,211,276)(H,212,263)(H,213,255)(H,214,270)(H,215,260)(H,216,267)(H,217,269)(H,218,261)(H,219,262)(H,220,264)(H,221,279)(H,222,280)(H,223,272)(H,224,256)(H,225,268)(H,226,274)(H,227,273)(H,228,281)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,286,287)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t86-,87-,88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
Inchi KeyBNRIJKFSYFUZBJ-COWYQEPJSA-N
Molecular SpeciesNone
Targets1.0
Bioactivities4.0
Np Likeness ScoreNone
Records Key['(Ala 2) hNPY']
Records Name['(Ala 2)human Neuropeptide Y']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure