Drug Information

Drug General Information
Drug ID
D03VFP
Former ID
DNC009654
Drug Name
Ac-WVEHRLKGELSRKGGVV[hArg]KNFVPTDVGPFAF-NH2
Indication Discovery agent Investigative [529839]
Structure
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2D MOL

3D MOL
Formula
C166H254N48O39
Canonical SMILES
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CCCCNC(=O)CCC(C(=O)N1)N<br />C(=O)CNC(=O)C2CCCCNC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=<br />O)N2)CC(C)C)CCCNC(=N)N)CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C<br />(CC4=CNC5=CC=CC=C54)NC(=O)C)C(=O)NCC(=O)NCC(=O)NC(C(C)C<br />)C(=O)NC(C(C)C)C(=O)NC(CCCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N<br />C(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(C(C)C)C(=O)N7CCC<br />C7C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NCC(<br />=O)N8CCCC8C(=O)NC(CC9=CC=CC=C9)C(=O)NC(C)C(=O)NC(CC1=CC<br />=CC=C1)C(=O)N)CCCNC(=N)N)CO
InChI
1S/C166H254N48O39/c1-86(2)69-112-148(238)192-104(51-31-35-63-178-125(220)60-58-110(146(236)202-117(75-100-79-176-85-187-100)150(240)194-108(144(234)199-112)54-38-66-181-166(174)175)197-159(249)133(90(9)10)209-153(243)116(189-95(17)217)74-99-78-182-102-48-28-27-47-101(99)102)140(230)185-82-127(222)190-109-57-59-124(219)177-62-34-30-50-103(191-142(232)107(53-37-65-180-165(172)173)195-155(245)120(84-215)206-149(239)113(70-87(3)4)200-145(109)235)139(229)184-80-126(221)183-81-128(223)207-132(89(7)8)161(251)210-134(91(11)12)160(250)196-106(52-32-36-64-179-164(170)171)141(231)193-105(49-29-33-61-167)143(233)203-118(76-123(168)218)151(241)201-115(73-98-45-25-20-26-46-98)152(242)211-135(92(13)14)163(253)214-68-40-56-122(214)157(247)212-136(94(16)216)162(252)205-119(77-130(225)226)154(244)208-131(88(5)6)158(248)186-83-129(224)213-67-39-55-121(213)156(246)204-114(72-97-43-23-19-24-44-97)147(237)188-93(15)138(228)198-111(137(169)227)71-96-41-21-18-22-42-96/h18-28,41-48,78-79,85-94,103-122,131-136,182,215-216H,29-40,49-77,80-84,167H2,1-17H3,(H2,168,218)(H2,169,227)(H,176,187)(H,177,219)(H,178,220)(H,183,221)(H,184,229)(H,185,230)(H,186,248)(H,188,237)(H,189,217)(H,190,222)(H,191,232)(H,192,238)(H,193,231)(H,194,240)(H,195,245)(H,196,250)(H,197,249)(H,198,228)(H,199,234)(H,200,235)(H,201,241)(H,202,236)(H,203,233)(H,204,246)(H,205,252)(H,206,239)(H,207,223)(H,208,244)(H,209,243)(H,210,251)(H,211,242)(H,212,247)(H,225,226)(H4,170,171,179)(H4,172,173,180)(H4,174,175,181)/t93-,94+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,131-,132-,133-,134-,135-,136-/m0/s1
InChIKey
WKTOEIRIAWMLPL-KFCCYEGLSA-N
PubChem Compound ID
44563420
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.

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