Drug Information
Drug General Information | Top | |||
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Drug ID |
D0Y0NM
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Former ID |
DNC004600
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Drug Name |
CGNLSTCMLGTYTQDFNPKHTFPQTAIGVGAP-amide
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C142H216N38O44S3
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Canonical SMILES |
CCC(C)C(C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)N)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)O)NC(CC4=CNC=N4)C(=O)NCC(=O)C5CCCN5C(=O)C(CC(=O)N)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCSC)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)CNC(=O)C(CS)N
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InChI |
1S/C142H216N38O44S3/c1-17-69(8)111(134(216)154-61-107(195)172-110(68(6)7)133(215)153-58-105(193)156-71(10)140(222)179-44-25-32-98(179)117(148)199)174-118(200)70(9)157-135(217)114(74(13)184)175-124(206)84(39-41-102(145)190)161-132(214)99-33-26-45-180(99)141(223)93(51-78-29-22-19-23-30-78)169-136(218)112(72(11)182)159-90(52-80-56-149-65-155-80)121(203)150-57-100(188)97-31-24-43-178(97)142(224)94(54-104(147)192)168-126(208)88(49-77-27-20-18-21-28-77)165-128(210)92(55-109(197)198)166-122(204)83(38-40-101(144)189)162-138(220)115(75(14)185)176-129(211)89(50-79-34-36-81(187)37-35-79)167-137(219)113(73(12)183)173-108(196)60-152-120(202)86(47-66(2)3)163-123(205)85(42-46-227-16)160-131(213)96(64-226)171-139(221)116(76(15)186)177-130(212)95(62-181)170-125(207)87(48-67(4)5)164-127(209)91(53-103(146)191)158-106(194)59-151-119(201)82(143)63-225/h18-23,27-30,34-37,56,65-76,82-99,110-116,159,181-187,225-226H,17,24-26,31-33,38-55,57-64,143H2,1-16H3,(H2,144,189)(H2,145,190)(H2,146,191)(H2,147,192)(H2,148,199)(H,149,155)(H,150,203)(H,151,201)(H,152,202)(H,153,215)(H,154,216)(H,156,193)(H,157,217)(H,158,194)(H,160,213)(H,161,214)(H,162,220)(H,163,205)(H,164,209)(H,165,210)(H,166,204)(H,167,219)(H,168,208)(H,169,218)(H,170,207)(H,171,221)(H,172,195)(H,173,196)(H,174,200)(H,175,206)(H,176,211)(H,177,212)(H,197,198)/t69-,70-,71-,72+,73+,74+,75+,76+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,99+,110-,111-,112-,113-,114-,115-,116-/m0/s1
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InChIKey |
YYIDQLADSCSELD-ILODDJEPSA-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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