The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

anidulafungin

Synonyms

N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-4-{4-[4-(pentyloxy)phenyl]phenyl}benzamide

C58H73N7O17

ID

http://purl.obolibrary.org/obo/dinto_DB00362

ATCCode

J02AX06

CASRN

166663-25-8

DBBrand

eraxis

Definition

Anidulafungin or Eraxis is an anti-fungal drug manufactured by Pfizer that gained approval by the Food and Drug Administration (FDA) in February 21, 2006; it was previously known as LY303366. There is preliminary evidence that it has a similar safety profile to caspofungin. [Wikipedia]

has effect

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

http://purl.obolibrary.org/obo/OAE_0001059

http://purl.obolibrary.org/obo/OAE_0000453

http://purl.obolibrary.org/obo/OAE_0001505

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

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

http://purl.obolibrary.org/obo/OAE_0000659

http://purl.obolibrary.org/obo/OAE_0001046

http://purl.obolibrary.org/obo/OAE_0001509

http://purl.obolibrary.org/obo/OAE_0000443

http://purl.obolibrary.org/obo/OAE_0001449

http://purl.obolibrary.org/obo/OAE_0001707

http://purl.obolibrary.org/obo/OAE_0000545

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

http://purl.obolibrary.org/obo/OAE_0000021

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0000660

http://purl.obolibrary.org/obo/OAE_0000197

http://purl.obolibrary.org/obo/OAE_0001025

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_0000403

http://purl.obolibrary.org/obo/OAE_0000861

http://purl.obolibrary.org/obo/OAE_0000770

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

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

http://purl.obolibrary.org/obo/OAE_0000551

http://purl.obolibrary.org/obo/OAE_0000455

http://purl.obolibrary.org/obo/OAE_0000084

http://purl.obolibrary.org/obo/OAE_0000911

http://purl.obolibrary.org/obo/OAE_0001243

http://purl.obolibrary.org/obo/OAE_0000645

http://purl.obolibrary.org/obo/OAE_0001129

http://purl.obolibrary.org/obo/OAE_0000315

http://purl.obolibrary.org/obo/OAE_0000414

http://purl.obolibrary.org/obo/OAE_0000822

http://purl.obolibrary.org/obo/OAE_0001742

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

http://purl.obolibrary.org/obo/OAE_0000306

http://purl.obolibrary.org/obo/OAE_0000194

http://purl.obolibrary.org/obo/OAE_0000185

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

http://purl.obolibrary.org/obo/OAE_0001217

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

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

http://purl.obolibrary.org/obo/OAE_0001030

http://purl.obolibrary.org/obo/OAE_0000296

http://purl.obolibrary.org/obo/OAE_0000374

http://purl.obolibrary.org/obo/OAE_0000346

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

http://purl.obolibrary.org/obo/OAE_0001044

http://purl.obolibrary.org/obo/OAE_0000402

http://purl.obolibrary.org/obo/OAE_0000811

has pharmacological target

http://purl.obolibrary.org/obo/dinto_3075

InChI

InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1

InChIKey

InChIKey=JHVAMHSQVVQIOT-MFAJLEFUSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_3075

label

anidulafungin

prefixIRI

obo2:dinto_DB00362

prefLabel

anidulafungin

SMILES

[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O

Synonym

N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-4-{4-[4-(pentyloxy)phenyl]phenyl}benzamide

C58H73N7O17

xref

National Drug Code Directory:0049-0114-28

PharmGKB:PA164742938

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

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

ChemSpider:145752

PubChem Substance:46505616

ChEBI:55346

PubChem Compound:166548

subClassOf

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

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_55346 PHIPO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 CHEBI LOOM
http://purl.bioontology.org/ontology/NDDF/011233 NDDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000171752 NDFRT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C1142738 OCHV LOOM
http://purl.bioontology.org/ontology/ATC/J02AX06 ATC LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 EUPATH LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 INBANCIDO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 CIDO LOOM
http://purl.obolibrary.org/obo/NCIT_C38716 BERO LOOM
http://purl.obolibrary.org/obo/ARO_3007503 ARO LOOM
http://purl.bioontology.org/ontology/VANDF/4025092 VANDF LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026039 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/LNC/MTHU032473 LOINC LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000171752 INBANCIDO LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000171752 CIDO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C102786 RH-MESH LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C38716 NCIT LOOM
http://purl.bioontology.org/ontology/RXNORM/341018 RXNORM LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/422157006 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/MESH/D000077612 MESH LOOM
https://go.drugbank.com/drugs/DB00362 MDM LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#55184 OCHV LOOM
http://purl.bioontology.org/ontology/LNC/LP94536-7 LOINC LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000328242 PDQ LOOM
http://purl.obolibrary.org/obo/DRON_00018854 INBANCIDO LOOM
http://purl.obolibrary.org/obo/DRON_00018854 CIDO LOOM