Bioactive Compound Details

BioIDbio82917
NameAFAMELANOTIDE
ChEMBL IDCHEMBL441738
Molecular FormulaC78H111N21O19
Molecular Weight1646.87
Molecular Weight (Monoisotopic)1645.8365
TypeProtein
Max PhasePhase 4
Target IDTar58
Target NameNone
Synonyms(NLE4,D-PHE7)-.ALPHA.-MSH|AFAMELANOTIDA|AFAMELANOTIDE|CUV-1647|CUV1647|MELANOTAN|MELANOTAN I|MELANOTAN-1|NDP-ALPHA-MSH|SCENESSE
SmilesCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C
InchiInChI=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
Inchi KeyUAHFGYDRQSXQEB-LEBBXHLNSA-N
Molecular SpeciesNone
Targets14.0
Bioactivities272.0
Np Likeness ScoreNone
Records Key['[Nle4, D-Phe7]alpha-MSH-NH2', 'NDP-MSH', '[Nle4,D-Phe7] a-MSH', 'NDP-alpha-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'MT-I', 'NDP-MSH', 'NDP-MSH', '12 NDP-MSH', 'table 6', 'NDP-MSH', 'NDP-alpha-MSH', '15', 'Peptide NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-alpha-MSH', 'NDP-alpha-MSH', 'NDP-MSH', 'NDP-alpha-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-alpha-MSH', 'AFAMELANOTIDE', 'NDP-MSH', '2, NDP-alpha-MSH', '4d', 'NDP-MSH', 'AFAMELANOTIDE', 'AFAMELANOTIDE', 'NDP-MSH', 'NDP-alpha-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-alpha-MSH', 'Afamelanotide', 'NDP-MSH', 'AFAMELANOTIDE', 'NDP-alpha-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH', 'NDP-MSH']
Records Name['Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'NDP-MSH', '[Ac-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val]', 'NDP-alpha-MSH', 'Ac-Ser-Tyr-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'AC-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2', '(NDP-MSH)Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Gly-Lys-Pro-Val-NH2 (NDP-MSH)', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2', '[Nle4,D-Phe7]R-MSH', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2', '(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-5-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-2-[[2-[[(1S)-5-amino-1-[(2S)-2-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'NDP-MSH; Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2 (NDP-MSH)', '(S)-5-((S)-1-((R)-1-((S)-1-((S)-1-(2-((S)-1-((S)-2-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-amino-1-oxohexan-2-ylamino)-2-oxoethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-5-guanidino-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-ylamino)-4-((S)-2-((S)-2-((S)-2-((S)-2-acetamido-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)hexanamido)-5-oxopentanoic acid', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-SYS-Nle-EH-DPhe-RWGKPV-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2 (NDP-MSH)', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'Ac-Ser-Tyr-Ser-Nle-Glu-His-Dphe-Arg-Trp-Gly-Lys-Pro-Val-NH2', 'NA', '(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]am
Withdrawn FlagFalse
Orphan1

Molecular Structure

2D Molecular Structure