Drug Information
Drug General Information | Top | |||
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Drug ID |
D0W0LS
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Former ID |
DPR000125
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Drug Name |
TAK-779
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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
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Drug Type |
Small molecular drug
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Indication | Transplant rejection [ICD-11: NE84; ICD-9: 279.5, 996] | Terminated | [1], [2] | |
Company |
Takeda
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Structure |
Download2D MOL
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Formula |
C33H39ClN2O2
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Canonical SMILES |
CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2.[Cl-]
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InChI |
1S/C33H38N2O2.ClH/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;1H
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InChIKey |
VDALIBWXVQVFGZ-UHFFFAOYSA-N
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CAS Number |
CAS 229005-80-5
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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Target(s) | C-C chemokine receptor type 5 (CCR5) | Target Info | Antagonist | [3], [4] |
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 | |||
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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: 783). | |||
REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800012061) | |||
REF 3 | Species selectivity of small-molecular antagonists for the CCR5 chemokine receptor. Int Immunopharmacol. 2007 Dec 5;7(12):1528-34. | |||
REF 4 | Progress in targeting HIV-1 entry. Drug Discov Today. 2005 Aug 15;10(16):1085-94. |
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