Drug Information

Drug General Information
Drug ID
D0A8VZ
Former ID
DNC004574
Drug Name
CGNLSTCBLGTYTQDF[DKFHO]YPQTAIGVGAP-amide
Indication Discovery agent Investigative [526273]
Structure
Download
2D MOL

3D MOL
Formula
C152H229N39O43S2
Canonical SMILES
CCCCC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CC1=C<br />C=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)<br />C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CC(=O)NCCCC(NC(C(=O)NC(C(=<br />O)C(NC3=O)CCCCN)CC4=CC=CC=C4)CC5=CNC=N5)C(=O)NC(CC6=CC=<br />C(C=C6)O)C(=O)N7CCCC7C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=<br />O)NC(C)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(=O)<br />NC(C)C(=O)N8CCCC8C(=O)N)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)CNC(=O)C(CS)N
InChI
1S/C152H229N39O43S2/c1-16-18-39-94(171-143(225)108(73-236)183-150(232)125(84(15)196)189-142(224)107(71-192)182-135(217)99(57-76(5)6)176-138(220)103(63-113(157)200)169-116(203)68-161-129(211)91(154)72-235)132(214)175-98(56-75(3)4)130(212)162-69-118(205)185-122(81(12)193)148(230)180-101(60-87-37-26-21-27-38-87)141(223)188-124(83(14)195)149(231)173-95(48-50-111(155)198)133(215)179-105(65-119(206)207)140(222)177-100(59-86-35-24-20-25-36-86)136(218)178-104-64-114(201)160-53-30-41-93(168-102(62-89-66-159-74-165-89)137(219)174-97(58-85-33-22-19-23-34-85)126(208)92(170-139(104)221)40-28-29-52-153)131(213)181-106(61-88-44-46-90(197)47-45-88)152(234)191-55-32-43-110(191)144(226)172-96(49-51-112(156)199)134(216)187-123(82(13)194)147(229)167-79(10)128(210)186-121(78(9)17-2)146(228)164-70-117(204)184-120(77(7)8)145(227)163-67-115(202)166-80(11)151(233)190-54-31-42-109(190)127(158)209/h19-27,33-38,44-47,66,74-84,91-110,120-125,168,192-197,235-236H,16-18,28-32,39-43,48-65,67-73,153-154H2,1-15H3,(H2,155,198)(H2,156,199)(H2,157,200)(H2,158,209)(H,159,165)(H,160,201)(H,161,211)(H,162,212)(H,163,227)(H,164,228)(H,166,202)(H,167,229)(H,169,203)(H,170,221)(H,171,225)(H,172,226)(H,173,231)(H,174,219)(H,175,214)(H,176,220)(H,177,222)(H,178,218)(H,179,215)(H,180,230)(H,181,213)(H,182,217)(H,183,232)(H,184,204)(H,185,205)(H,186,210)(H,187,216)(H,188,223)(H,189,224)(H,206,207)/t78-,79-,80-,81+,82+,83+,84+,91-,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102?,103-,104-,105-,106-,107-,108-,109+,110+,120-,121-,122-,123-,124-,125-/m0/s1
InChIKey
NRTVMMGXEUIAJK-RZPNVICESA-N
PubChem Compound ID
44268993
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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