The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/dinto_DB04894
http://purl.obolibrary.org/obo/dinto_DB04894
Preferred Name

vapreotide
Synonyms
C57H70N12O9S2
2-amino-N-[10-(4-aminobutyl)-4-{[1-carbamoyl-2-(1H-indol-2-yl)ethyl]carbamoyl}-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-3-phenylpropanamide
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
vapreotide
label
vapreotide
DBSynonym
vapreotide acetate
vapreotida [inn-spanish]
rc-160
vapreotidum [inn-latin]
octastatin
bmy 41606
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ATCCode
H01CB04
Definition
Vapreotide is a synthetic octapeptide somatostatin analog. It was being studied for the treatment of cancer.
has pharmacological target
induces
activates
type
InChIKey
InChIKey=GAWXLRUZZFSQON-UHFFFAOYSA-N
blocks
Synonym
C57H70N12O9S2
2-amino-N-[10-(4-aminobutyl)-4-{[1-carbamoyl-2-(1H-indol-2-yl)ethyl]carbamoyl}-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-3-phenylpropanamide
xref
PharmGKB:PA164743146
PubChem Substance:46506923
PubChem Compound:23725064
ChemSpider:64425
CASRN
103222-11-3
prefixIRI
obo2:dinto_DB04894
SMILES
CC(C)C1NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(CC1=CC2=CC=CC=C2N1)C(N)=O)NC(=O)C(N)CC1=CC=CC=C1
InChI
InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)28-37-26-35-14-6-8-16-41(35)62-37)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-38(70)22-20-34)53(74)66-46(27-36-29-61-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,26,29,32,40,43-49,61-62,70H,10-11,18,23-25,27-28,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
DBBrand
sanvar ir
sanvar
subClassOf
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