Drug Information

Drug General Information
Drug ID
D0T6CU
Former ID
DNC010524
Drug Name
WTLNSAGYLLGPHAVGNHPSFSDKNGLTS-CONH2
Indication Discovery agent Investigative [530680]
Structure
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2D MOL

3D MOL
Formula
C137H207N41O42
Canonical SMILES
CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)O)NC(=O)CNC(=O)C(<br />CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)<br />C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC<br />2=CN=CN2)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C<br />)NC(=O)C(CC3=CN=CN3)NC(=O)C4CCCN4C(=O)CNC(=O)C(CC(C)C)N<br />C(=O)C(CC(C)C)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)CNC(=O)C(C)<br />NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O<br />)NC(=O)C(CC6=CNC7=CC=CC=C76)N
InChI
1S/C137H207N41O42/c1-64(2)38-84(162-120(203)86(40-66(5)6)163-122(205)88(43-74-31-33-78(185)34-32-74)158-104(189)54-149-112(195)69(11)155-129(212)96(58-179)172-126(209)94(49-103(142)188)167-121(204)87(41-67(7)8)170-134(217)110(71(13)183)176-114(197)80(139)44-75-51-148-81-27-19-18-26-79(75)81)115(198)152-57-107(192)178-37-23-30-100(178)132(215)169-90(45-76-52-145-62-153-76)119(202)156-70(12)113(196)175-109(68(9)10)133(216)151-56-106(191)159-93(48-102(141)187)125(208)165-91(46-77-53-146-63-154-77)124(207)161-83(29-22-36-147-137(143)144)118(201)171-97(59-180)130(213)164-89(42-73-24-16-15-17-25-73)123(206)173-98(60-181)131(214)168-95(50-108(193)194)127(210)160-82(28-20-21-35-138)117(200)166-92(47-101(140)186)116(199)150-55-105(190)157-85(39-65(3)4)128(211)177-111(72(14)184)135(218)174-99(61-182)136(219)220/h15-19,24-27,31-34,51-53,62-72,80,82-100,109-111,148,179-185H,20-23,28-30,35-50,54-61,138-139H2,1-14H3,(H2,140,186)(H2,141,187)(H2,142,188)(H,145,153)(H,146,154)(H,149,195)(H,150,199)(H,151,216)(H,152,198)(H,155,212)(H,156,202)(H,157,190)(H,158,189)(H,159,191)(H,160,210)(H,161,207)(H,162,203)(H,163,205)(H,164,213)(H,165,208)(H,166,200)(H,167,204)(H,168,214)(H,169,215)(H,170,217)(H,171,201)(H,172,209)(H,173,206)(H,174,218)(H,175,196)(H,176,197)(H,177,211)(H,193,194)(H,219,220)(H4,143,144,147)/t69-,70-,71+,72+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,109-,110-,111-/m0/s1
InChIKey
UTHJXLJHUIVFLB-TYEKMZLMSA-N
PubChem Compound ID
46233687
Target and Pathway
Target(s) Galanin receptor type 1 Target Info Inhibitor [530680]
Galanin receptortype 2 Target Info Inhibitor [530680]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 530680J Med Chem. 2010 Feb 25;53(4):1871-5.Engineering galanin analogues that discriminate between GalR1 and GalR2 receptor subtypes and exhibit anticonvulsant activity following systemic delivery.
Ref 530680J Med Chem. 2010 Feb 25;53(4):1871-5.Engineering galanin analogues that discriminate between GalR1 and GalR2 receptor subtypes and exhibit anticonvulsant activity following systemic delivery.

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