Drug Information

Drug General Information
Drug ID
D03CEP
Former ID
DNC004585
Drug Name
CGNLSTCMLGTYTQDFNKPHTFPQTAIGVGAP-amide
Indication Discovery agent Investigative [526273]
Structure
Download
2D MOL

3D MOL
Formula
C146H225N39O44S3
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)C(C(C)O)NC(CC4=CNC=N<br />4)C(=O)N5CCCC5C(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC6=<br />CC=CC=C6)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O<br />)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(C<br />C(C)C)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CO)<br />NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CS)N
InChI
1S/C146H225N39O44S3/c1-17-72(8)114(138(221)158-64-110(199)177-113(71(6)7)137(220)157-61-108(197)160-74(10)144(227)184-48-27-35-102(184)121(153)204)179-122(205)73(9)161-139(222)117(77(13)189)180-127(210)88(42-44-105(150)194)166-136(219)103-36-28-49-185(103)145(228)97(55-81-31-22-19-23-32-81)174-140(223)115(75(11)187)163-98(56-83-60-154-68-159-83)146(229)183-47-26-34-101(183)120(203)86(33-24-25-46-147)164-131(214)95(58-107(152)196)171-129(212)92(53-80-29-20-18-21-30-80)170-132(215)96(59-112(201)202)172-125(208)87(41-43-104(149)193)167-142(225)118(78(14)190)181-133(216)93(54-82-37-39-84(192)40-38-82)173-141(224)116(76(12)188)178-111(200)63-156-124(207)90(51-69(2)3)168-126(209)89(45-50-232-16)165-135(218)100(67-231)176-143(226)119(79(15)191)182-134(217)99(65-186)175-128(211)91(52-70(4)5)169-130(213)94(57-106(151)195)162-109(198)62-155-123(206)85(148)66-230/h18-23,29-32,37-40,60,68-79,85-103,113-119,163,186-192,230-231H,17,24-28,33-36,41-59,61-67,147-148H2,1-16H3,(H2,149,193)(H2,150,194)(H2,151,195)(H2,152,196)(H2,153,204)(H,154,159)(H,155,206)(H,156,207)(H,157,220)(H,158,221)(H,160,197)(H,161,222)(H,162,198)(H,164,214)(H,165,218)(H,166,219)(H,167,225)(H,168,209)(H,169,213)(H,170,215)(H,171,212)(H,172,208)(H,173,224)(H,174,223)(H,175,211)(H,176,226)(H,177,199)(H,178,200)(H,179,205)(H,180,210)(H,181,216)(H,182,217)(H,201,202)/t72-,73-,74-,75+,76+,77+,78+,79+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98?,99-,100-,101?,102+,103+,113-,114-,115-,116-,117-,118-,119-/m0/s1
InChIKey
NKZSJXPCNXUROW-NOXBKLPVSA-N
PubChem Compound ID
44269046
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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