The Drug Ontology

Last uploaded: October 2, 2019
Preferred Name

abarelix

Synonyms

InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1

InChIKey=AIWRTTMUVOZGPW-HSPKUQOVSA-N

abarelix

C72H95ClN14O14

CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparginyl-L-leucyl-N(6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide

Definitions

A polypeptide compound composed of ten natural and non-natural amino acid resiudes in a linear sequence.

ID

http://purl.obolibrary.org/obo/CHEBI_337298

database_cross_reference

KEGG DRUG:D02738

Beilstein:8895061

DrugBank:DB00106

ChEMBL:337298

KEGG DRUG:183552-38-7

ChEMBL:11462984

DrugBank:183552-38-7

Wikipedia:Abarelix

ChemIDplus:183552-38-7

has_exact_synonym

N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparginyl-L-leucyl-N(6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide

has_related_synonym

InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1

InChIKey=AIWRTTMUVOZGPW-HSPKUQOVSA-N

abarelix

C72H95ClN14O14

CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

has_RxCUI

301739

id

CHEBI:337298

label

abarelix

notation

CHEBI:337298

prefixIRI

CHEBI:337298

prefLabel

abarelix

textual definition

A polypeptide compound composed of ten natural and non-natural amino acid resiudes in a linear sequence.

subClassOf

http://purl.obolibrary.org/obo/CHEBI_15841

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http://purl.bioontology.org/ontology/UATC/L02BX01 ATC LOOM
http://www.semanticweb.org/ontologies/2018/1/ProstateCancer.owl#Abarelix PCAO LOOM
http://purl.bioontology.org/ontology/RXNORM/301739 RXNORM LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C2015 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C2015 NCIT LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/407128008 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/VANDF/4021410 VANDF LOOM
http://purl.obolibrary.org/obo/CHEBI_337298 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_337298 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_337298 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_337298 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_337298 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_337298 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_337298 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_337298 CHEBI SAME_URI
http://www.drugbank.ca/drugs/DB00106 FTC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148825 NDFRT LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000415570 PDQ LOOM
http://purl.bioontology.org/ontology/NDDF/008459 NDDF LOOM
http://purl.bioontology.org/ontology/MESH/C423508 MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C423508 RH-MESH LOOM