SETMELANOTIDE

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: N7T15V1FUY

Structure
InChI Key HDHDTKMUACZDAA-PHNIDTBTSA-N
Smile CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)NC1=O
InChI
InChI=1S/C49H68N18O9S2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C49H68N18O9S2
Molecular Weight 1117.33
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
AGONIST Melanocortin receptor 4 agonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 3 D009765 ClinicalTrials
Bardet-Biedl Syndrome 3 D020788 ClinicalTrials
Prader-Willi Syndrome 2 D011218 ClinicalTrials
Smith-Magenis Syndrome 2 D058496 ClinicalTrials
Obesity, Morbid 1 D009767 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 920014-72-8
ChEMBL CHEMBL3301624
DrugBank DB11700
FDA SRS N7T15V1FUY
Guide to Pharmacology 9272
PubChem 11993702
SureChEMBL SCHEMBL21840385
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