Drug Information
Drug General Information | Top | |||
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Drug ID |
D0A8VZ
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Former ID |
DNC004574
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Drug Name |
CGNLSTCBLGTYTQDF[DKFHO]YPQTAIGVGAP-amide
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C146H244N44O47S2
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Canonical SMILES |
CCCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N3CCCC3C(=O)N)NC(=O)C(CC4=CNC=N4)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CS)N
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InChI |
1S/C146H244N44O47S2/c1-18-19-27-82(123(215)179-96(51-77-33-35-79(199)36-34-77)144(236)190-45-26-32-103(190)139(231)169-84(30-24-43-158-146(155)156)126(218)187-114(74(15)196)142(234)178-95(55-107(153)203)134(226)186-113(73(14)195)140(232)161-58-109(205)164-97(60-191)120(212)160-59-110(206)184-116(76(17)198)145(237)189-44-25-31-102(189)117(154)209)165-131(223)92(52-78-56-157-66-162-78)174-127(219)88(47-68(4)5)171-122(214)83(29-21-23-42-148)166-132(224)93(53-105(151)201)175-128(220)89(48-69(6)7)172-125(217)86(38-40-111(207)208)167-124(216)85(37-39-104(150)200)168-135(227)99(62-193)181-129(221)90(49-70(8)9)170-121(213)81(28-20-22-41-147)163-108(204)57-159-119(211)87(46-67(2)3)177-141(233)112(72(12)13)185-138(230)101(65-239)183-143(235)115(75(16)197)188-137(229)100(63-194)182-130(222)91(50-71(10)11)173-133(225)94(54-106(152)202)176-136(228)98(61-192)180-118(210)80(149)64-238/h33-36,56,66-76,80-103,112-116,191-199,238-239H,18-32,37-55,57-65,147-149H2,1-17H3,(H2,150,200)(H2,151,201)(H2,152,202)(H2,153,203)(H2,154,209)(H,157,162)(H,159,211)(H,160,212)(H,161,232)(H,163,204)(H,164,205)(H,165,223)(H,166,224)(H,167,216)(H,168,227)(H,169,231)(H,170,213)(H,171,214)(H,172,217)(H,173,225)(H,174,219)(H,175,220)(H,176,228)(H,177,233)(H,178,234)(H,179,215)(H,180,210)(H,181,221)(H,182,222)(H,183,235)(H,184,206)(H,185,230)(H,186,226)(H,187,218)(H,188,229)(H,207,208)(H4,155,156,158)/t73-,74-,75-,76-,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102-,103-,112+,113+,114+,115+,116+/m1/s1
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InChIKey |
YNPHTODKUNFPBE-PQRPONEFSA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Calcitonin receptor (CALCR) | Target Info | Inhibitor | [1] |
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 | Top | |||
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REF 1 | Side-chain lactam-bridge conformational constraints differentiate the activities of salmon and human calcitonins and reveal a new design concept fo... J Med Chem. 2002 Feb 28;45(5):1108-21. |
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