Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C49H68N18O9S2 |
Molecular Weight | 1117.309 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O
InChI
InChIKey=HDHDTKMUACZDAA-PHNIDTBTSA-N
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
Molecular Formula | C49H68N18O9S2 |
Molecular Weight | 1117.309 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Setmelanotide (RM-493), is an investigational, first-in-class melanocortin-4 receptor (MC4R) agonist in development for the treatment of rare genetic disorders of obesity. Setmelanotide is thought to activate the MC4R, part of a key biological pathway in humans that regulates weight by increasing energy expenditure and reducing appetite. Variants in genes within the MC4 pathway are associated with unrelenting hunger, known as hyperphagia, and severe, early-onset obesity. Setmelanotide is a potential replacement therapy that may restore lost activity in the MC4 pathway, reestablishing weight and appetite control in patients with these rare genetic disorders.
Originator
Approval Year
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT03746522
Bardet-Biedl Syndrome (BBS) and Alström Syndrome (AS) patients with moderate to severe obesity:
Subcutaneous injection, 3 mg, daily
Route of Administration:
Other
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/30048591
Setmelanotide (RM-493) binds human MC4R with Ki value of 0.71 nM in radioligand binding assay and activated MC4R with EC50 value of 1.5 nM in intracellular cAMP production assay.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:27:11 GMT 2023
by
admin
on
Sat Dec 16 08:27:11 GMT 2023
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Record UNII |
N7T15V1FUY
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Record Status |
Validated (UNII)
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Record Version |
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Official Name | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Code | English |
Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
700719
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FDA ORPHAN DRUG |
613717
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FDA ORPHAN DRUG |
480615
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EU-Orphan Drug |
EU/3/18/2101
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FDA ORPHAN DRUG |
726419
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FDA ORPHAN DRUG |
514815
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NCI_THESAURUS |
C29711
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Code System | Code | Type | Description | ||
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100000177229
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2469247
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Setmelanotide
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920014-72-8
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N7T15V1FUY
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N7T15V1FUY
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DB11700
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10011
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DTXSID501032320
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CHEMBL3301624
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C152349
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BC-38
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11993702
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
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EXCRETED UNCHANGED |
Approximately 39% of the administered setmelanotide dose was excreted unchanged in urine during the 24-hour dosing interval following subcutaneous administration of 3 mg once daily.
URINE
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BINDER->LIGAND |
BINDING
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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Volume of Distribution | PHARMACOKINETIC |
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ONCE DAILY |
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Tmax | PHARMACOKINETIC |
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SUBCUTANEOUS INJECTION |
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