The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

maraviroc
Synonyms

maraviroc

4,4-difluoro-N-{(1R)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclohexanecarboxamide

C29H41F2N5O

4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

ID

http://purl.obolibrary.org/obo/CHEBI_63608

ATCCode

J05AX09

binds

http://purl.obolibrary.org/obo/dinto_3736

http://purl.obolibrary.org/obo/dinto_0901

blocks

http://purl.obolibrary.org/obo/dinto_3736

CASRN

376348-65-1

DBBrand

selzentry

celsentri

DBname

maraviroc

Definition

A carboxamide obtained by formal condensation of the carboxy group of 4,4-difluorocyclohexanecarboxylic acid and the amino group of (1R)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropylamine. Prevents the interaction of HIV-1 gp120 and chemokine receptor 5 (CCR5) necessary for CCR5-tropic HIV-1 to enter cells.

has effect

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

http://purl.obolibrary.org/obo/OAE_0000424

http://purl.obolibrary.org/obo/OAE_0001373

http://purl.obolibrary.org/obo/OAE_0000081

http://purl.obolibrary.org/obo/OAE_0000236

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

http://purl.obolibrary.org/obo/OAE_0000557

http://purl.obolibrary.org/obo/OAE_0000823

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

http://purl.obolibrary.org/obo/OAE_0001259

http://purl.obolibrary.org/obo/OAE_0000839

http://purl.obolibrary.org/obo/OAE_0000335

http://purl.obolibrary.org/obo/OAE_0000198

http://purl.obolibrary.org/obo/OAE_0001387

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

http://purl.obolibrary.org/obo/OAE_0000825

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

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_0000418

http://purl.obolibrary.org/obo/OAE_0001421

http://purl.obolibrary.org/obo/OAE_0000319

http://purl.obolibrary.org/obo/OAE_0000465

http://purl.obolibrary.org/obo/OAE_0000359

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

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

http://purl.obolibrary.org/obo/OAE_0000281

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

http://purl.obolibrary.org/obo/OAE_0001378

http://purl.obolibrary.org/obo/OAE_0000915

http://purl.obolibrary.org/obo/OAE_0000608

http://purl.obolibrary.org/obo/OAE_0000539

http://purl.obolibrary.org/obo/OAE_0000340

http://purl.obolibrary.org/obo/OAE_0001026

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

http://purl.obolibrary.org/obo/OAE_0001357

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

http://purl.obolibrary.org/obo/OAE_0000300

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

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

http://purl.obolibrary.org/obo/OAE_0001024

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

http://purl.obolibrary.org/obo/OAE_0001200

http://purl.obolibrary.org/obo/OAE_0000400

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

http://purl.obolibrary.org/obo/OAE_0001106

http://purl.obolibrary.org/obo/OAE_0000184

http://purl.obolibrary.org/obo/OAE_0000440

http://purl.obolibrary.org/obo/OAE_0000613

http://purl.obolibrary.org/obo/OAE_0000752

http://purl.obolibrary.org/obo/OAE_0000038

http://purl.obolibrary.org/obo/OAE_0001164

http://purl.obolibrary.org/obo/OAE_0000438

http://purl.obolibrary.org/obo/OAE_0000166

http://purl.obolibrary.org/obo/OAE_0002122

http://purl.obolibrary.org/obo/OAE_0001403

http://purl.obolibrary.org/obo/OAE_0000536

http://purl.obolibrary.org/obo/OAE_0000647

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

http://purl.obolibrary.org/obo/OAE_0001205

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

http://purl.obolibrary.org/obo/OAE_0000468

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

http://purl.obolibrary.org/obo/OAE_0000779

http://purl.obolibrary.org/obo/OAE_0000701

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0000211

http://purl.obolibrary.org/obo/OAE_0000462

http://purl.obolibrary.org/obo/OAE_0000466

http://purl.obolibrary.org/obo/OAE_0000358

http://purl.obolibrary.org/obo/OAE_0000488

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

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

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

has pharmacological target

http://purl.obolibrary.org/obo/dinto_3736

has role

http://purl.obolibrary.org/obo/CHEBI_59886

http://purl.obolibrary.org/obo/CHEBI_63673

http://purl.obolibrary.org/obo/CHEBI_36044

InChI

InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1

InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m1/s1

InChIKey

InChIKey=GSNHKUDZZFZSJB-HLMSNRGBSA-N

InChIKey=GSNHKUDZZFZSJB-XDZVQPMWSA-N

is metabolised by

http://purl.obolibrary.org/obo/dinto_0901

is substrate of

http://purl.obolibrary.org/obo/dinto_0901

label

maraviroc

modulates

http://purl.obolibrary.org/obo/dinto_3736

prefixIRI

obo2:CHEBI_63608

prefLabel

maraviroc

SMILES

[H][C@]12CC[C@]([H])(CC(C1)N1C(C)=NN=C1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1

CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1

Synonym

maraviroc

4,4-difluoro-N-{(1R)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclohexanecarboxamide

C29H41F2N5O

4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

xref

DrugBank:DB04835

CiteXplore:22247337

CiteXplore:21393136

CiteXplore:22090117

CiteXplore:21134404

CiteXplore:22236118

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

CiteXplore:21505306

CASRN:376348-65-1

PubChem Substance:46508040

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

Reaxys:10131963

CiteXplore:22118500

IUPHAR:806

CiteXplore:22017448

ChemSpider:2273675

RxList:http://www.rxlist.com/cgi/generic/selzentry.htm

CiteXplore:22174038

PubChem Compound:3002977

KEGG DRUG:D06670

CiteXplore:21987241

CiteXplore:21595497

PharmGKB:PA164768835

National Drug Code Directory:0069-0807-60

CiteXplore:22034870

Guide To Pharmacology:806

CiteXplore:21383098

CiteXplore:22064539

CiteXplore:21692669

Wikipedia:Maraviroc

subClassOf

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

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_63608 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63608 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63608 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63608 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63608 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63608 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63608 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63608 DRON SAME_URI
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C502411 RH-MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_63608 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_63608 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_63608 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_63608 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_63608 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_63608 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_63608 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_63608 DRON LOOM
http://purl.bioontology.org/ontology/VANDF/4026629 VANDF LOOM
http://www.drugbank.ca/drugs/DB04835 FTC LOOM
http://purl.bioontology.org/ontology/RXNORM/620216 RXNORM LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C73144 NCIT LOOM
http://purl.bioontology.org/ontology/LNC/MTHU058688 LOINC LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000696304 PDQ LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/429603001 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/MESH/D000077592 MESH LOOM
http://purl.bioontology.org/ontology/ATC/J05AX09 ATC LOOM
https://go.drugbank.com/drugs/DB04835 MDM LOOM
http://purl.obolibrary.org/obo/NCIT_C73144 BERO LOOM
http://purl.jp/bio/4/id/200906085658853319 IOBC LOOM
http://purl.bioontology.org/ontology/LNC/LP266720-4 LOINC LOOM
http://stirdf.jst.go.jp/id/200907012265222330 IOBC LOOM
http://purl.bioontology.org/ontology/NDDF/012282 NDDF LOOM
http://scai.fraunhofer.de/HuPSON#SCAIVPH_00001135 HUPSON LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000176115 NDFRT LOOM
http://www.phoc.org.cn/pmo/class/PMO_00025995 PMAPP-PMO LOOM
http://purl.obolibrary.org/obo/DRON_00018974 ODNAE LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000176115 ODAE LOOM