Drug Information

Drug General Information
Drug ID
D0O9WG
Former ID
DNC004597
Drug Name
CSNLSTCVLGKLSQELHKLQTYPRTNTGSGTP-amide
Indication Discovery agent Investigative [526273]
Structure
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2D MOL

3D MOL
Formula
C145H242N44O48S2
Canonical SMILES
CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C<br />(C=C1)O)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(<br />=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(<br />=O)NC(C(C)O)C(=O)N3CCCC3C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC<br />4=CNC=N4)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O<br />)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O<br />)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)<br />C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(<br />CS)N
InChI
1S/C145H242N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99(63-239)181-142(235)114(74(16)197)187-135(228)98(61-193)180-129(222)90(49-69(9)10)172-131(224)92(52-104(151)202)174-134(227)96(59-191)178-117(210)79(148)62-238)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199,238-239H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94?,95+,96+,97+,98+,99+,100-,101-,110+,111+,112+,113+,114+,115+/m1/s1
InChIKey
AZCMZZXDDMAXIT-SLFAFRAOSA-N
PubChem Compound ID
44269048
Target and Pathway
Target(s) Calcitonin receptor Target Info Inhibitor [526273]
KEGG Pathway Neuroactive ligand-receptor interaction
Osteoclast differentiation
NetPath Pathway RANKL Signaling Pathway
Reactome G alpha (s) signalling events
Calcitonin-like ligand receptors
WikiPathways GPCRs, Class B Secretin-like
RANKL/RANK Signaling Pathway
GPCR ligand binding
GPCR downstream signaling
References
Ref 526273J Med Chem. 2002 Feb 28;45(5):1108-21.Side-chain lactam-bridge conformational constraints differentiate the activities of salmon and human calcitonins and reveal a new design concept for potent calcitonin analogues.
Ref 526273J Med Chem. 2002 Feb 28;45(5):1108-21.Side-chain lactam-bridge conformational constraints differentiate the activities of salmon and human calcitonins and reveal a new design concept for potent calcitonin analogues.

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