Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0J7QU
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| Former ID |
DNC000589
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| Drug Name |
E-913
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| Synonyms |
E913; E 913; 342394-93-8; 1,4,9-Triazaspiro(5.5)undecane-2,5-dione, 1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-; 11-butyl-9-(cyclohexylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,8,11-triazaspiro[5.5]undecane-7,10-dione; 1,4,9-Triazaspiro[5.5]undecane-2,5-dione, 1-butyl-3-(cyclohexylmethyl)-9-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-; AC1LANMM; E-913; SCHEMBL1649664; GTPL3500; CHEMBL1196395; e9-13; BDBM50190513; LS-184716
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| Drug Type |
Small molecular drug
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| Indication | Human immunodeficiency virus infection [ICD-11: 1C62; ICD-9: 279.3] | Phase 3 | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C28H41N3O4
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| Canonical SMILES |
CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC4=C(C=C3)OCCO4)CC5CCCCC5
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| 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)
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| InChIKey |
VBONNDPACFTZMX-UHFFFAOYSA-N
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| CAS Number |
CAS 342394-93-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-C chemokine receptor type 5 (CCR5) | Target Info | Antagonist | [3] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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 2 | ClinicalTrials.gov (NCT00297076) Chemokine Coreceptor 5 (CCR5) Antagonist GW873140 In R5-Tropic Treatment-Experienced HIV-Infected Subjects. U.S. National Institutes of Health. | |||
| REF 3 | Species selectivity of small-molecular antagonists for the CCR5 chemokine receptor. Int Immunopharmacol. 2007 Dec 5;7(12):1528-34. | |||
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