lanreotide   

GtoPdb Ligand ID: 2031

Synonyms: BIM 23014 | DC 13-116 | lanreotide acetate | Somatuline®
lanreotide is an approved drug (UK (2001), FDA (2007))
Comment: Lanreotide is a synthetic analogue of somatostatin. The compound is represented by a PubChem entry (linked to above) without specified stereochemistry, while ChEMBL represents lantreotide with the entry CHEMBL1201185.
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(=O)N)C(O)C)NC(=O)C(Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2
Isomeric SMILES NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(=O)N)C(O)C)NC(=O)C(Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)
InChI Key PUDHBTGHUJUUFI-UHFFFAOYSA-N
Classification
Compound class Peptide or derivative
Approved drug? Yes (UK (2001), FDA (2007))
IUPAC Name
10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-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-pentazacycloicosane-4-carboxamide
International Nonproprietary Names
INN number INN
6649 lanreotide
Synonyms
BIM 23014 | DC 13-116 | lanreotide acetate | Somatuline®
Database Links
CAS Registry No. 108736-35-2
GtoPdb PubChem SID 135652022
PubChem CID 71349
Search Google for chemical match using the InChIKey PUDHBTGHUJUUFI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PUDHBTGHUJUUFI
Search PubMed clinical trials lanreotide
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Search PubMed titles/abstracts lanreotide
Search UniChem for chemical match using the InChIKey PUDHBTGHUJUUFI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PUDHBTGHUJUUFI
Wikipedia Lanreotide