The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

nafarelin
Synonyms

C66H83N17O13

N-(5-carbamimidamido-1-{2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl}-1-oxopentan-2-yl)-2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]-3-(naphthalen-2-yl)propanamido}-4-methylpentanamide

ID

http://purl.obolibrary.org/obo/dinto_DB00666

activates

http://purl.obolibrary.org/obo/dinto_1678

http://purl.obolibrary.org/obo/dinto_0157

AHFScode

68:18.00

ATCCode

H01CA02

binds

http://purl.obolibrary.org/obo/dinto_1678

http://purl.obolibrary.org/obo/dinto_0157

CASRN

76932-56-4

DBBrand

synarel

DBSynonym

nafarelin acetate

Definition

A potent synthetic agonist of gonadotropin-releasing hormone with 3-(2-naphthyl)-D-alanine substitution at residue 6. Nafarelin has been used in the treatments of central precocious puberty and endometriosis. [PubChem]

has effect

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0000604

http://purl.obolibrary.org/obo/OAE_0000377

http://purl.obolibrary.org/obo/OAE_0000902

http://purl.obolibrary.org/obo/OAE_0000376

http://purl.obolibrary.org/obo/OAE_0000406

http://purl.obolibrary.org/obo/OAE_0000561

http://purl.obolibrary.org/obo/OAE_0000308

http://purl.obolibrary.org/obo/OAE_0000567

http://purl.obolibrary.org/obo/OAE_0000415

http://purl.obolibrary.org/obo/OAE_0000373

http://purl.obolibrary.org/obo/OAE_0001595

http://purl.obolibrary.org/obo/OAE_0000382

http://purl.obolibrary.org/obo/OAE_0000250

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0000310

http://purl.obolibrary.org/obo/OAE_0000050

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0001463

http://purl.obolibrary.org/obo/OAE_0000375

http://purl.obolibrary.org/obo/OAE_0001515

http://purl.obolibrary.org/obo/OAE_0000842

http://purl.obolibrary.org/obo/OAE_0002206

http://purl.obolibrary.org/obo/OAE_0000894

http://purl.obolibrary.org/obo/OAE_0000473

http://purl.obolibrary.org/obo/OAE_0000968

http://purl.obolibrary.org/obo/OAE_0000460

http://purl.obolibrary.org/obo/OAE_0000508

http://purl.obolibrary.org/obo/OAE_0000401

http://purl.obolibrary.org/obo/OAE_0000405

http://purl.obolibrary.org/obo/OAE_0000385

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0000396

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0000470

http://purl.obolibrary.org/obo/OAE_0001001

http://purl.obolibrary.org/obo/OAE_0000766

http://purl.obolibrary.org/obo/OAE_0001497

http://purl.obolibrary.org/obo/OAE_0000534

http://purl.obolibrary.org/obo/OAE_0000350

has pharmacological target

http://purl.obolibrary.org/obo/dinto_1678

http://purl.obolibrary.org/obo/dinto_0157

InChI

InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)

InChIKey

InChIKey=RWHUEXWOYVBUCI-UHFFFAOYSA-N

label

nafarelin

modulates

http://purl.obolibrary.org/obo/dinto_1678

http://purl.obolibrary.org/obo/dinto_0157

prefixIRI

obo2:dinto_DB00666

prefLabel

nafarelin

SMILES

CC(C)CC(NC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC=N1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NCC(N)=O

Synonym

C66H83N17O13

N-(5-carbamimidamido-1-{2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl}-1-oxopentan-2-yl)-2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]-3-(naphthalen-2-yl)propanamido}-4-methylpentanamide

xref

RxList:http://www.rxlist.com/cgi/generic2/nafarelin.htm

Drugs.com:http://www.drugs.com/cdi/nafarelin.html

PubChem Substance:46506496

National Drug Code Directory:0025-0166-08

Wikipedia:http://en.wikipedia.org/wiki/Nafarelin

Drugs Product Database (DPD):2188783

PubChem Compound:25077649

ChemSpider:10605761

PharmGKB:PA164754805

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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Mapping To Ontology Source
http://purl.bioontology.org/ontology/MESH/D017274 MESH LOOM
http://purl.bioontology.org/ontology/ATC/H01CA02 ATC LOOM
http://www.drugbank.ca/drugs/DB00666 FTC LOOM
http://purl.bioontology.org/ontology/VANDF/4019848 VANDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147934 NDFRT LOOM
http://purl.obolibrary.org/obo/MESH_D017274 BERO LOOM
http://stirdf.jst.go.jp/id/200907075276437828 IOBC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00019105 PMAPP-PMO LOOM
http://www.co-ode.org/ontologies/galen#Nafarelin GALEN LOOM
https://go.drugbank.com/drugs/DB00666 MDM LOOM
http://purl.obolibrary.org/obo/OMIT_0017656 OMIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D12.644.400.400.740.320.580 RH-MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D017274 RH-MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D12.644.548.365.740.320.580 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDDF/004783 NDDF LOOM
http://purl.bioontology.org/ontology/RXNORM/28656 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D12.644.456.460.600 RH-MESH LOOM
http://purl.obolibrary.org/obo/NCIT_C61613 BERO LOOM
http://purl.bioontology.org/ontology/RCD/fr3.. RCD LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000039886 PDQ LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D06.472.699.327.740.320.580 RH-MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_7445 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_7445 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_7445 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_7445 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_7445 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_7445 GSSO LOOM
http://purl.obolibrary.org/obo/DRON_00017672 FIDEO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D12.776.641.650.405.740.320.580 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/109046009 SNOMEDCT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61613 NCIT LOOM
http://purl.jp/bio/4/id/200906032840638370 IOBC LOOM