RELAMORELIN

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Synonyms
Status
Molecule Category Free-form
UNII BIW199E18V

Structure

InChI Key KUBPNVYPKPWGRJ-LIVOIKKVSA-N
Smiles NC(=O)C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2csc3ccccc23)NC(=O)C2CCNCC2)CCNCC1
InChI
InChI=1S/C43H50N8O5S/c44-42(56)43(16-20-46-21-17-43)51-41(55)34(22-27-8-2-1-3-9-27)49-39(53)35(23-29-25-47-33-12-6-4-10-31(29)33)50-40(54)36(48-38(52)28-14-18-45-19-15-28)24-30-26-57-37-13-7-5-11-32(30)37/h1-13,25-26,28,34-36,45-47H,14-24H2,(H2,44,56)(H,48,52)(H,49,53)(H,50,54)(H,51,55)/t34-,35+,36+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H50N8O5S
Molecular Weight 790.99
AlogP 2.59
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 15.0
Polar Surface Area 199.34
Molecular species BASE
Aromatic Rings 5.0
Heavy Atoms 57.0

Pharmacology

Mechanism of Action Action Reference
Ghrelin receptor agonist AGONIST PubMed PubMed PubMed

Target Conservation

Protein: Ghrelin receptor
Description: Growth hormone secretagogue receptor type 1
Organism : Homo sapiens
Q92847 ENSG00000121853

Cross References

Resources Reference
ChEMBL CHEMBL4297525
DrugBank DB12678
FDA SRS BIW199E18V
PubChem 85364156
SureChEMBL SCHEMBL19606783
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