Drug Information

Drug General Information
Drug ID
D0J2UD
Former ID
DNC012739
Drug Name
CGNLSTCMLGTYTQDFc[DKFHO]FPQTAIGVGAP-amide
Indication Discovery agent Investigative [526273]
Structure
Download
2D MOL

3D MOL
Formula
C151H227N39O43S3
Canonical SMILES
CCC(C)C(C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)N1CC<br />CC1C(=O)N)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=<br />O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCNC(=O)CC(C(=O)N<br />C(C(=O)C(NC(=O)C(N4)CC5=CNC=N5)CC6=CC=CC=C6)CCCCN)NC(=O<br />)C(CC7=CC=CC=C7)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)<br />C(C(C)O)NC(=O)C(CC8=CC=C(C=C8)O)NC(=O)C(C(C)O)NC(=O)CNC<br />(=O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=<br />O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CS<br />)N
InChI
1S/C151H227N39O43S3/c1-16-77(8)120(145(227)163-69-116(203)183-119(76(6)7)144(226)162-66-114(201)165-79(10)150(232)189-52-29-39-108(189)126(157)208)185-127(209)78(9)166-146(228)122(81(12)193)186-133(215)94(46-48-111(155)198)171-143(225)109-40-30-53-190(109)151(233)105(60-86-35-24-19-25-36-86)180-130(212)92-38-28-51-159-113(200)63-103(138(220)169-91(37-26-27-50-152)125(207)96(57-84-31-20-17-21-32-84)173-136(218)101(167-92)61-88-65-158-73-164-88)177-135(217)99(58-85-33-22-18-23-34-85)176-139(221)104(64-118(205)206)178-131(213)93(45-47-110(154)197)172-148(230)123(82(13)194)187-140(222)100(59-87-41-43-89(196)44-42-87)179-147(229)121(80(11)192)184-117(204)68-161-129(211)97(55-74(2)3)174-132(214)95(49-54-236-15)170-142(224)107(72-235)182-149(231)124(83(14)195)188-141(223)106(70-191)181-134(216)98(56-75(4)5)175-137(219)102(62-112(156)199)168-115(202)67-160-128(210)90(153)71-234/h17-25,31-36,41-44,65,73-83,90-109,119-124,167,191-196,234-235H,16,26-30,37-40,45-64,66-72,152-153H2,1-15H3,(H2,154,197)(H2,155,198)(H2,156,199)(H2,157,208)(H,158,164)(H,159,200)(H,160,210)(H,161,211)(H,162,226)(H,163,227)(H,165,201)(H,166,228)(H,168,202)(H,169,220)(H,170,224)(H,171,225)(H,172,230)(H,173,218)(H,174,214)(H,175,219)(H,176,221)(H,177,217)(H,178,213)(H,179,229)(H,180,212)(H,181,216)(H,182,231)(H,183,203)(H,184,204)(H,185,209)(H,186,215)(H,187,222)(H,188,223)(H,205,206)/t77-,78-,79-,80+,81+,82+,83+,90-,91-,92-,93-,94-,95-,96?,97-,98-,99-,100-,101?,102-,103-,104-,105-,106-,107-,108+,109+,119-,120-,121-,122-,123-,124-/m0/s1
InChIKey
QYDBESOJOBAYMS-KXFCUHMWSA-N
PubChem Compound ID
44269047
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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