Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08TCW
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| Former ID |
DNC000381
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| Drug Name |
Calpastatin
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| Synonyms |
Acacetin-7-O-glucuronide methyl ester; AC1NUQS7; 79076-87-2; beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, methyl ester; methyl (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C142H230N36O44S
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C5CCCN5C(=O)C(CC(=O)O)NC(=O)C
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| InChI |
1S/C142H230N36O44S/c1-18-74(11)111(172-129(211)97(65-81-38-42-83(185)43-39-81)168-136(218)113(77(14)181)174-131(213)100(69-180)170-130(212)99(68-179)169-124(206)92(52-60-223-17)162-132(214)101-33-26-57-176(101)138(220)98(66-109(195)196)154-79(16)183)135(217)163-90(46-50-107(191)192)121(203)159-88(44-48-105(187)188)122(204)164-93(61-70(3)4)116(198)152-67-104(186)155-84(29-20-22-53-143)117(199)156-86(31-24-55-150-141(146)147)118(200)160-91(47-51-108(193)194)125(207)171-110(73(9)10)134(216)175-114(78(15)182)137(219)173-112(75(12)19-2)140(222)178-59-28-35-103(178)139(221)177-58-27-34-102(177)133(215)161-85(30-21-23-54-144)120(202)167-96(64-80-36-40-82(184)41-37-80)128(210)157-87(32-25-56-151-142(148)149)119(201)158-89(45-49-106(189)190)123(205)165-95(63-72(7)8)127(209)166-94(62-71(5)6)126(208)153-76(13)115(145)197/h36-43,70-78,84-103,110-114,179-182,184-185H,18-35,44-69,143-144H2,1-17H3,(H2,145,197)(H,152,198)(H,153,208)(H,154,183)(H,155,186)(H,156,199)(H,157,210)(H,158,201)(H,159,203)(H,160,200)(H,161,215)(H,162,214)(H,163,217)(H,164,204)(H,165,205)(H,166,209)(H,167,202)(H,168,218)(H,169,206)(H,170,212)(H,171,207)(H,172,211)(H,173,219)(H,174,213)(H,175,216)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H4,146,147,150)(H4,148,149,151)/t74-,75-,76-,77+,78+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,110-,111-,112-,113-,114-/m0/s1
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| InChIKey |
ZXJCOYBPXOBJMU-HSQGJUDPSA-N
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| CAS Number |
CAS 79079-11-1
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:131884
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| SuperDrug ATC ID |
L01DA01
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| SuperDrug CAS ID |
cas=000050760
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Calpain-2 (CAPN2) | Target Info | Inhibitor | [1], [2] |
| KEGG Pathway | Protein processing in endoplasmic reticulum | |||
| Apoptosis | ||||
| Alzheimer's disease | ||||
| Reactome | Degradation of the extracellular matrix | |||
| WikiPathways | Focal Adhesion | |||
| Integrated Pancreatic Cancer Pathway | ||||
| Alzheimers Disease | ||||
| Integrin-mediated Cell Adhesion | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Calpain in the pathophysiology of spinal cord injury: neuroprotection with calpain inhibitors. Brain Res Brain Res Rev. 2003 May;42(2):169-85. | |||
| REF 2 | PEST sequences in the malaria parasite Plasmodium falciparum: a genomic study. Malar J. 2003 Jun 23;2:16. | |||
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