Drug Information

Drug General Information
Drug ID
D0J7QU
Former ID
DNC000589
Drug Name
E-913
Drug Type
Small molecular drug
Indication Human immunodeficiency virus infection [ICD9: 279.3; ICD10:B20-B26] Phase 3 [521808], [540440]
Structure
Download
2D MOL

3D MOL
Formula
C28H41N3O4
InChI
InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
InChIKey
VBONNDPACFTZMX-UHFFFAOYSA-N
CAS Number
CAS 1404-15-5
PubChem Compound ID
491774
PubChem Substance ID
652214, 10312014, 14932619, 38679913, 50068534, 79728365, 104073804, 109756754, 135246717, 139351077, 178100487, 227838908, 242107739, 247964610
ChEBI ID
ChEBI:44504
Target and Pathway
Target(s) C-C chemokinereceptor type 5 Target Info Antagonist [536516]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
Endocytosis
Toxoplasmosis
Viral carcinogenesis
NetPath Pathway TSLP Signaling Pathway
TCR Signaling Pathway
IL2 Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database IL12-mediated signaling events
Reactome Binding and entry of HIV virion
Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
HIV Life Cycle
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 521808ClinicalTrials.gov (NCT00297076) Chemokine Coreceptor 5 (CCR5) Antagonist GW873140 In R5-Tropic Treatment-Experienced HIV-Infected Subjects. U.S. National Institutes of Health.
Ref 540440(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3500).
Ref 536516Species selectivity of small-molecular antagonists for the CCR5 chemokine receptor. Int Immunopharmacol. 2007 Dec 5;7(12):1528-34. Epub 2007 Aug 14.

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