The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/CHEBI_337298
http://purl.obolibrary.org/obo/CHEBI_337298
Preferred Name

abarelix
Synonyms
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
abarelix
C72H95ClN14O14
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
abarelix
label
abarelix
ATCCode
L02BX01
Definition
A polypeptide compound composed of ten natural and non-natural amino acid resiudes in a linear sequence.
has effect
has pharmacological target
type
has role
InChIKey
InChIKey=AIWRTTMUVOZGPW-HSPKUQOVSA-N
blocks
AHFScode
10:00
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
abarelix
C72H95ClN14O14
xref
Wikipedia:Abarelix
PharmGKB:PA164754915
CASRN:183552-38-7
DrugBank:183552-38-7
ChEMBL:11462984
DrugBank:DB00106
KEGG DRUG:D02738
RxList:http://www.rxlist.com/cgi/generic/plenaxis.htm
ChEBI:337298
BindingDB:50102442
Beilstein:8895061
Wikipedia:http://en.wikipedia.org/wiki/Abarelix
IUPHAR:1188
Guide To Pharmacology:1188
Drugs.com:http://www.drugs.com/cdi/abarelix.html
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CASRN
183552-38-7
prefixIRI
obo2:CHEBI_337298
SMILES
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
may interact with
DBname
abarelix
InChI
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
DBBrand
plenaxis
subClassOf
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