Drug Information

Drug General Information
Drug ID
D0W0LS
Former ID
DPR000125
Drug Name
TAK-779
Synonyms
TAK 779; TAK 799; TAK779; TAK799; E-921; TAK 779 (Chloride); TAK779 & CD4 mAb; E921/TAK-779; TAK-279 & PRO 140; TAK-779 & PA14; TAK-779 (Chloride); TAK 779 (*Chloride*); TAK-779 (*Chloride*); Dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium; Dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride; N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium; N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium & Monoclonal antibody directed against CD4 receptor; N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium PRO 140 (Anti-CCR5 monoclonal antibody); N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium & PRO 140 (Anti-CCR5 monoclonal antibody); N,N-Dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium chloride; N,N-Dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium; 2H-Pyran-4-aminium, N,N-dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-, chloride
Drug Type
Small molecular drug
Indication Transplant rejection [ICD9: 279.5, 996; ICD10:D89.8, T86] Terminated [542775], [547013]
Company
Takeda
Structure
Download
2D MOL

3D MOL
Formula
C33H39N2O2+
InChI
InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
InChIKey
XNHZXMPLVSJQFK-UHFFFAOYSA-O
CAS Number
CAS 2457-80-9
PubChem Compound ID
183790
PubChem Substance ID
630109, 10588263, 24716413, 24721605, 33506190, 54311126, 80609599, 85209753, 103987225, 104440492, 126450141, 129713478, 135246873, 135651230, 142296319, 198950300, 227398832, 242091009
ChEBI ID
ChEBI:17509
Target and Pathway
Target(s) C-C chemokinereceptor type 5 Target Info Antagonist [536143], [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 542775(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: 783).
Ref 547013Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800012061)
Ref 536143Progress in targeting HIV-1 entry. Drug Discov Today. 2005 Aug 15;10(16):1085-94.
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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