NPY[Tyr32,Leu34]

ID: ALA439534

Chembl Id: CHEMBL439534

Max Phase: Preclinical

Molecular Formula: C196H292N54O56

Molecular Weight: 4300.81

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC[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](CC(C)C)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]1CCCN1C(=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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC

Standard InChI:  InChI=1S/C196H292N54O56/c1-17-100(11)156(187(301)240-134(83-110-46-58-117(257)59-47-110)172(286)226-122(32-23-69-213-195(206)207)164(278)230-130(77-98(7)8)171(285)224-121(31-22-68-212-194(204)205)162(276)228-127(158(201)272)80-107-40-52-114(254)53-41-107)245-179(293)131(78-99(9)10)232-176(290)137(86-148(199)259)241-188(302)157(101(12)18-2)246-180(294)135(84-111-48-60-118(258)61-49-111)235-175(289)136(85-112-91-210-95-216-112)236-165(279)123(33-24-70-214-196(208)209)225-170(284)129(76-97(5)6)229-161(275)103(14)218-181(295)142(93-251)243-174(288)133(82-109-44-56-116(256)57-45-109)234-173(287)132(81-108-42-54-115(255)55-43-108)233-163(277)120(30-21-67-211-193(202)203)222-159(273)102(13)217-168(282)128(75-96(3)4)231-177(291)139(89-154(268)269)238-167(281)125(63-65-152(264)265)223-160(274)104(15)219-184(298)145-35-26-71-247(145)189(303)105(16)220-169(283)138(88-153(266)267)237-166(280)124(62-64-151(262)263)221-150(261)92-215-183(297)144-34-25-73-249(144)192(306)141(87-149(200)260)242-178(292)140(90-155(270)271)239-185(299)147-37-28-74-250(147)191(305)126(29-19-20-66-197)227-182(296)143(94-252)244-186(300)146-36-27-72-248(146)190(304)119(198)79-106-38-50-113(253)51-39-106/h38-61,91,95-105,119-147,156-157,251-258H,17-37,62-90,92-94,197-198H2,1-16H3,(H2,199,259)(H2,200,260)(H2,201,272)(H,210,216)(H,215,297)(H,217,282)(H,218,295)(H,219,298)(H,220,283)(H,221,261)(H,222,273)(H,223,274)(H,224,285)(H,225,284)(H,226,286)(H,227,296)(H,228,276)(H,229,275)(H,230,278)(H,231,291)(H,232,290)(H,233,277)(H,234,287)(H,235,289)(H,236,279)(H,237,280)(H,238,281)(H,239,299)(H,240,301)(H,241,302)(H,242,292)(H,243,288)(H,244,300)(H,245,293)(H,246,294)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H4,202,203,211)(H4,204,205,212)(H4,206,207,213)(H4,208,209,214)/t100-,101-,102-,103-,104-,105-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,156-,157-/m0/s1

Standard InChI Key:  QFCUFWRPZFRMJV-ITLLAWQSSA-N

Alternative Forms

1. Parent:

   

   ALA439534

   NPY[TYR32,LEU34]

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 4300.81

Molecular Weight (Monoisotopic): 4298.1661

AlogP: ┄

#Rotatable Bonds: ┄

Polar Surface Area: ┄

Molecular Species: ┄

HBA: ┄

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): ┄

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: ┄

CX LogD: ┄

Aromatic Rings: ┄

Heavy Atoms: ┄

QED Weighted: ┄

Np Likeness Score: ┄

References

1. Leban JJ, Heyer D, Landavazo A, Matthews J, Aulabaugh A, Daniels AJ..  (1995)  Novel modified carboxy terminal fragments of neuropeptide Y with high affinity for Y2-type receptors and potent functional antagonism at a Y1-type receptor.,  38  (7): [PMID:7707318] [10.1021/jm00007a012]

Source

Source(1):

• Scientific Literature