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Details

Stereochemistry ABSOLUTE
Molecular Formula C78H111N21O19
Molecular Weight 1646.8452
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFAMELANOTIDE

SMILES

CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C45)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(N)=O

InChI

InChIKey=UAHFGYDRQSXQEB-LEBBXHLNSA-N
InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1

HIDE SMILES / InChI
Molecular Formula C78H111N21O19
Molecular Weight 1646.8452
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 6
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:49:20 UTC 2023
Edited
by admin
on Fri Dec 15 15:49:20 UTC 2023
Record UNII
QW68W3J66U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFAMELANOTIDE
INN   MI   WHO-DD  
INN   USAN  
Official Name English
.ALPHA.-MELANOTROPIN (SWINE), 4-L-NORLEUCINE-7-D-PHENYLALANINE-
Common Name English
AC-SER-TYR-SER-NLE-GLU-HIS-D-PHE-ARG-TRP-GLY-LYS-PRO-VAL-NH2
Common Name English
afamelanotide [INN]
Common Name English
ACETYL(4-(2S)-2-AMINOHEXANOIC ACID,7-D-PHENYLALANINE)HUMAN MELANOTROPIN ALPHA
Systematic Name English
CUV-1647
Code English
Afamelanotide [WHO-DD]
Common Name English
[Nle4-D-Phe7]-α-Melanocyte-stimulating hormone
Common Name English
AFAMELANOTIDE [USAN]
Common Name English
AFAMELANOTIDE [MI]
Common Name English
[Nle4,D-Phe7]-α-MSH
Common Name English
MELANOTAN-1
Common Name English
AFAMELANOTIDE [ORANGE BOOK]
Common Name English
CUV1647
Code English
MELANOTAN I
Common Name English
MELANOTAN
Common Name English
NDP-alpha-MSH
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C548
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
FDA ORPHAN DRUG 430014
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
FDA ORPHAN DRUG 292009
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
EU-Orphan Drug EU/3/09/648
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
FDA ORPHAN DRUG 263208
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
WIKIPEDIA Designer-drugs-AFAMELANOTIDE
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
WHO-ATC D02BB02
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
FDA ORPHAN DRUG 502815
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
EMA ASSESSMENT REPORTS SCENESSE (AUTHORIZED: PROTOPORPHYRIA, ERYTHROPOIETIC)
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
WHO-VATC QD02BB02
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
Code System Code Type Description
WIKIPEDIA
AFAMELANOTIDE
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
DRUG BANK
DB04931
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
MESH
C534526
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
CHEBI
136034
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
CAS
75921-69-6
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
DAILYMED
QW68W3J66U
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
USAN
EF-157
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
MERCK INDEX
m1438
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL2108301
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
RXCUI
2262250
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
NCI_THESAURUS
C82655
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
PUBCHEM
16154396
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
EVMPD
SUB33758
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
FDA UNII
QW68W3J66U
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
INN
9010
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
SMS_ID
100000127697
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
DRUG CENTRAL
4836
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID40226843
Created by admin on Fri Dec 15 15:49:20 UTC 2023 , Edited by admin on Fri Dec 15 15:49:20 UTC 2023
PRIMARY
Related Record Type Details
MELANOCORTIN RECEPTOR 4
TARGET -> INHIBITOR
Binding Assay
MELANOCORTIN RECEPTOR 1
TARGET -> AGONIST
Structure of AFAMELANOTIDE ACETATE
SALT/SOLVATE -> PARENT
MELANOCORTIN RECEPTOR 1
TARGET -> INHIBITOR
Binding assay
Kd
Related Record Type Details
Structure of AFAMELANOTIDE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC SUBCUTANEOUS ADMINISTRATION

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