AFAMELANOTIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2019)
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: D02BB02
UNII: QW68W3J66U

Structure
InChI Key UAHFGYDRQSXQEB-LEBBXHLNSA-N
Smile CCCC[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
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C78H111N21O19
Molecular Weight 1646.87
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 1 agonist FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 16 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Melanocortin receptor
0-12 0-14 - 0-19 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Protoporphyria, Erythropoietic 4 D046351 ClinicalTrials
Vitiligo 2 D014820 ClinicalTrials
Urticaria 2 D014581 ClinicalTrials
Acne Vulgaris 2 D000152 ClinicalTrials
Ischemic Stroke 2 D000083242 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 75921-69-6
ChEBI 136034
ChEMBL CHEMBL441738
DrugBank DB04931
EPA CompTox DTXSID40226843
FDA SRS QW68W3J66U
Guide to Pharmacology 1324
PubChem 16154396
SureChEMBL SCHEMBL22463810
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