Drug Information

Drug General Information
Drug ID
D09EJG
Former ID
DNC009573
Drug Name
Ac-WVTHRLAGLLSRSGGVVRKNFVPTDVGPFAF-NH2
Indication Discovery agent Investigative [529839]
Structure
Download
2D MOL

3D MOL
Formula
C159H246N46O39
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(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC<br />1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O<br />)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NCC(=O)N3CCCC3C(=O)NC(CC<br />4=CC=CC=C4)C(=O)NC(C)C(=O)NC(CC5=CC=CC=C5)C(=O)N)NC(=O)<br />CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC<br />6=CN=CN6)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC7=CNC8=C<br />C=CC=C87)NC(=O)C
InChI
1S/C159H246N46O39/c1-79(2)60-104(182-119(213)74-175-131(219)87(17)179-138(226)105(61-80(3)4)188-136(224)100(49-35-55-170-157(163)164)184-142(230)110(67-96-71-169-78-178-96)193-155(243)129(90(20)209)203-153(241)126(85(13)14)199-145(233)109(181-91(21)210)66-95-70-173-98-47-32-31-46-97(95)98)140(228)189-106(62-81(5)6)141(229)196-114(77-207)147(235)185-101(50-36-56-171-158(165)166)137(225)195-113(76-206)133(221)176-72-118(212)174-73-120(214)197-124(83(9)10)152(240)200-125(84(11)12)151(239)186-102(51-37-57-172-159(167)168)134(222)183-99(48-33-34-54-160)135(223)191-111(68-117(161)211)143(231)190-108(65-94-44-29-24-30-45-94)144(232)201-127(86(15)16)156(244)205-59-39-53-116(205)149(237)202-128(89(19)208)154(242)194-112(69-122(216)217)146(234)198-123(82(7)8)150(238)177-75-121(215)204-58-38-52-115(204)148(236)192-107(64-93-42-27-23-28-43-93)139(227)180-88(18)132(220)187-103(130(162)218)63-92-40-25-22-26-41-92/h22-32,40-47,70-71,78-90,99-116,123-129,173,206-209H,33-39,48-69,72-77,160H2,1-21H3,(H2,161,211)(H2,162,218)(H,169,178)(H,174,212)(H,175,219)(H,176,221)(H,177,238)(H,179,226)(H,180,227)(H,181,210)(H,182,213)(H,183,222)(H,184,230)(H,185,235)(H,186,239)(H,187,220)(H,188,224)(H,189,228)(H,190,231)(H,191,223)(H,192,236)(H,193,243)(H,194,242)(H,195,225)(H,196,229)(H,197,214)(H,198,234)(H,199,233)(H,200,240)(H,201,232)(H,202,237)(H,203,241)(H,216,217)(H4,163,164,170)(H4,165,166,171)(H4,167,168,172)/t87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-,125-,126-,127-,128-,129-/m0/s1
InChIKey
LVJLXLXVWDOXCC-BQWGFPJXSA-N
PubChem Compound ID
44563412
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.