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CHEBI:749956 - aplaviroc hydrochloride

Default Structure
ChEBI IDCHEBI:749956
ChEBI Nameaplaviroc hydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C33H43N3O6
Net Charge0
Average Mass614.183
Monoisotopic Mass613.29186
SMILESCl.[H][C@]1([C@H](O)C2CCCCC2)NC(=O)C2(CCN(Cc3ccc(Oc4ccc(C(=O)O)cc4)cc3)CC2)N(CCCC)C1=O
InChIInChI=1S/C33H43N3O6.ClH/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40;/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40);1H/t28-,29-;/m1./s1
InChIKeyQNNBMSGFNQRUEH-PQQSRXGVSA-N
Roles Classification
Biological Role:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
ChEBI Ontology
Outgoing Relation(s)
aplaviroc hydrochloride (CHEBI:749956) has role anti-HIV agent (CHEBI:64946)
aplaviroc hydrochloride (CHEBI:749956) is a piperidines (CHEBI:26151)
Synonyms  Source
Aplaviroc hclChEMBL
Aplaviroc hydrochlorideChEMBL
GW-873140AChEMBL
GW873140AChEMBL
Citations