NAFARELIN

Search structure
Synonyms:
Status: Approved (1990)
Entry Type: Protein
Molecule Category: Parent
ATC: H01CA02
UNII: 1X0094V6JV

Structure
InChI Key PPXLVGBVOZLEIW-ITQXDASVSA-N
Smile CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
InChI
InChI=1S/C66H83N17O13/c1-36(2)26-48(58(89)76-47(16-8-24-71-66(68)69)65(96)83-25-9-17-54(83)64(95)73-33-55(67)86)77-60(91)50(28-39-12-7-11-38-10-3-4-13-43(38)39)79-59(90)49(27-37-18-20-42(85)21-19-37)78-63(94)53(34-84)82-61(92)51(29-40-31-72-45-15-6-5-14-44(40)45)80-62(93)52(30-41-32-70-35-74-41)81-57(88)46-22-23-56(87)75-46/h3-7,10-15,18-21,31-32,35-36,46-54,72,84-85H,8-9,16-17,22-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,94)(H,79,90)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C66H83N17O13
Molecular Weight 1322.5
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) GnRH receptor
- - - 1.0232929922807495e+20 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infertility 2 D007246 ClinicalTrials
Endometriosis 1 D004715 ClinicalTrials
Pain 1 D010146 ClinicalTrials

Related Entries

Scaffolds

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 76932-56-4
ChEMBL CHEMBL1201309
FDA SRS 1X0094V6JV
Guide to Pharmacology 3902
PubChem 49800011
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