Drug Information

Drug General Information
Drug ID
D08WZV
Former ID
DNC009648
Drug Name
Ac-VTHRLAGLLSRSGGVVKNNFVPTDVGPFAF-NH2
Indication Discovery agent Investigative [529839]
Structure
Download
2D MOL

3D MOL
Formula
C146H230N42O39
Canonical SMILES
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(<br />=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O<br />)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC1=C<br />C=CC=C1)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NC<br />(CC(=O)O)C(=O)NC(C(C)C)C(=O)NCC(=O)N3CCCC3C(=O)NC(CC4=C<br />C=CC=C4)C(=O)NC(C)C(=O)NC(CC5=CC=CC=C5)C(=O)N)NC(=O)CNC<br />(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC6=C<br />N=CN6)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C
InChI
1S/C146H230N42O39/c1-71(2)53-92(166-108(197)66-159-120(203)79(17)163-126(209)93(54-72(3)4)171-124(207)89(44-33-49-156-145(151)152)167-130(213)97(59-87-63-155-70-162-87)177-143(226)118(82(20)192)186-140(223)113(75(9)10)165-83(21)193)128(211)172-94(55-73(5)6)129(212)180-102(69-190)135(218)168-90(45-34-50-157-146(153)154)125(208)179-101(68-189)122(205)160-64-107(196)158-65-109(198)181-114(76(11)12)141(224)183-115(77(13)14)139(222)169-88(43-31-32-48-147)123(206)174-98(60-105(148)194)132(215)175-99(61-106(149)195)131(214)173-96(58-86-41-29-24-30-42-86)133(216)184-116(78(15)16)144(227)188-52-36-47-104(188)137(220)185-117(81(19)191)142(225)178-100(62-111(200)201)134(217)182-112(74(7)8)138(221)161-67-110(199)187-51-35-46-103(187)136(219)176-95(57-85-39-27-23-28-40-85)127(210)164-80(18)121(204)170-91(119(150)202)56-84-37-25-22-26-38-84/h22-30,37-42,63,70-82,88-104,112-118,189-192H,31-36,43-62,64-69,147H2,1-21H3,(H2,148,194)(H2,149,195)(H2,150,202)(H,155,162)(H,158,196)(H,159,203)(H,160,205)(H,161,221)(H,163,209)(H,164,210)(H,165,193)(H,166,197)(H,167,213)(H,168,218)(H,169,222)(H,170,204)(H,171,207)(H,172,211)(H,173,214)(H,174,206)(H,175,215)(H,176,219)(H,177,226)(H,178,225)(H,179,208)(H,180,212)(H,181,198)(H,182,217)(H,183,224)(H,184,216)(H,185,220)(H,186,223)(H,200,201)(H4,151,152,156)(H4,153,154,157)/t79-,80-,81+,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,112-,113-,114-,115-,116-,117-,118-/m0/s1
InChIKey
OYUUVTJIINDYIH-ZCHJXOKKSA-N
PubChem Compound ID
44563410
Target and Pathway
Target(s) Calcitonin gene-related peptide 1 Target Info Inhibitor [529839]
Reactome G alpha (s) signalling events
Calcitonin-like ligand receptors
WikiPathways Myometrial Relaxation and Contraction Pathways
Endothelin Pathways
GPCR ligand binding
GPCR downstream signaling
References
Ref 529839J Med Chem. 2008 Dec 25;51(24):7889-97.Identification of potent, selective, and metabolically stable peptide antagonists to the calcitonin gene-related peptide (CGRP) receptor.
Ref 529839J Med Chem. 2008 Dec 25;51(24):7889-97.Identification of potent, selective, and metabolically stable peptide antagonists to the calcitonin gene-related peptide (CGRP) receptor.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.