BREMELANOTIDE

Search structure
Synonyms:
Status: Approved (2019)
Entry Type: Protein
Molecule Category: Parent
ATC: G02CX05
UNII: 6Y24O4F92S

Structure
InChI Key FFHBJDQSGDNCIV-MFVUMRCOSA-N
Smile CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
InChI
InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C50H68N14O10
Molecular Weight 1025.18
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 4 agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 10.45
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -0.48-38.5
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Melanocortin receptor
0.1202-4.074 194.98-199.53 - 0.25-24.55 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sexual Dysfunction, Physiological 3 D012735 ClinicalTrials
Kidney Diseases 2 D007674 ClinicalTrials
Nausea 1 D009325 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 189691-06-3
ChEMBL CHEMBL2070241
DrugBank DB11653
DrugCentral 5329
EPA CompTox DTXSID40893711
FDA SRS 6Y24O4F92S
Guide to Pharmacology 10408
PubChem 9941379
SureChEMBL SCHEMBL13574795
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