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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
Structure of SETMELANOTIDE

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

HIDE SMILES / InChI
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

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:27:11 UTC 2023
Edited
by admin
on Sat Dec 16 08:27:11 UTC 2023
Record UNII
N7T15V1FUY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SETMELANOTIDE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
L-CYSTEINAMIDE, N2-ACETYL-L-ARGINYL-L-CYSTEINYL-D-ALANYL-L-HISTIDYL-D-PHENYLALANYL-L-ARGINYL-L-TRYPTOPHYL-, CYCLIC (2->8)-DISULFIDE
Systematic Name English
Setmelanotide [WHO-DD]
Common Name English
BIM-22493
Code English
setmelanotide [INN]
Common Name English
SETMELANOTIDE [USAN]
Common Name English
RM-493
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 700719
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
FDA ORPHAN DRUG 613717
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
FDA ORPHAN DRUG 480615
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
EU-Orphan Drug EU/3/18/2101
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
FDA ORPHAN DRUG 726419
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
FDA ORPHAN DRUG 514815
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
NCI_THESAURUS C29711
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
Code System Code Type Description
SMS_ID
100000177229
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
RXCUI
2469247
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
WIKIPEDIA
Setmelanotide
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
CAS
920014-72-8
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
DAILYMED
N7T15V1FUY
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
FDA UNII
N7T15V1FUY
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
DRUG BANK
DB11700
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
INN
10011
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID501032320
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
ChEMBL
CHEMBL3301624
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
NCI_THESAURUS
C152349
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
USAN
BC-38
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
PUBCHEM
11993702
Created by admin on Sat Dec 16 08:27:12 UTC 2023 , Edited by admin on Sat Dec 16 08:27:12 UTC 2023
PRIMARY
Related Record Type Details
Structure of SETMELANOTIDE ACETATE
SALT/SOLVATE -> PARENT
Structure of SETMELANOTIDE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
MELANOCORTIN RECEPTOR 4
TARGET -> INHIBITOR
Structure of SETMELANOTIDE
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
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Related Record Type Details
Structure of SETMELANOTIDE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC ONCE DAILY

SUBCUTANEOUS INJECTION

Tmax PHARMACOKINETIC SUBCUTANEOUS INJECTION

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