Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0NR6S
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| Former ID |
DAP000308
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| Drug Name |
Maraviroc
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| Synonyms |
376348-65-1; Selzentry; Celsentri; UK-427857; UK-427,857; UK 427857; UNII-MD6P741W8A; MD6P741W8A; CHEMBL256907; MVC; CHEMBL1201187; CHEBI:63608; 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[321]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide; Isopropyl, 4,4-difluoro-N-((1S)-3-{(1R,3s,5S)-3-(3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(321)octan-8-yl}-1-phenylpropyl)cyclohexanecarboxamide; Maraviroc [USAN]; Celsentri (TN); Celsentri(TM); PRO 140 & Maraviroc; Selzentry (TN); Selzentry(TM); UK-427,857 maraviroc (MVC); Exo-4,4-Difluoro-N-[3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[321]oct-8-yl]-1(S)-phenylpropyl]cyclohexanecarboxamide; PRO 140 (Anti-CCR5 monoclonal antibody) & exo-4,4-Difluoro-N-[3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[321]oct-8-yl]-1(S)-phenylpropyl]cyclohexanecarboxamide; 4,4-Difluoro-N-((1S)-3-(exo-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo(321)oct-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; [3H]maraviroc
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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] | Approved | [1], [2], [3] | |
| Chronic obstructive pulmonary disease [ICD-11: CA22; ICD-10: J44, J44.9] | Phase 3 | [1], [3] | ||
| Therapeutic Class |
Anti-HIV Agents
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| Company |
Pfizer; AstraZeneca
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| Structure |
 |
Download2D MOL |
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| Formula |
C29H41F2N5O
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| Canonical SMILES |
CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
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| InChI |
1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1
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| InChIKey |
GSNHKUDZZFZSJB-HLMSNRGBSA-N
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| CAS Number |
CAS 376348-65-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
642129, 12015618, 16284914, 24721602, 26602278, 34668114, 34939567, 46508040, 50066636, 50681186, 57410169, 92719325, 103771170, 104055495, 104179071, 111611845, 124894309, 124894310, 125085088, 126620904, 126649000, 126667024, 134337620, 134340611, 135246807, 135611105, 135650567, 135651174, 135692886, 135723692, 136340231, 137006237, 137255791, 137255792, 137434072, 143497951, 152164500, 152238539, 152258411, 152344350, 160647248, 160967811, 162201744, 162222523, 162894542, 164027255, 164339310, 164828285, 174529188, 175265823
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| ChEBI ID |
CHEBI:63608
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| ADReCS Drug ID | BADD_D01352 | |||
| SuperDrug ATC ID |
J05AX09
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| Drug Resistance Mutation (DRM) | Top | |||
|---|---|---|---|---|
| DRM | DRM Info | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-C chemokine receptor type 5 (CCR5) | Target Info | Antagonist | [4], [5], [6] |
| CCR5 messenger RNA (CCR5 mRNA) | Target Info | Antagonist | [7] | |
| 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: 806). | |||
| REF 2 | 2007 FDA drug approvals: a year of flux. Nat Rev Drug Discov. 2008 Feb;7(2):107-9. | |||
| REF 3 | Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91. | |||
| REF 4 | Rapamycin enhances aplaviroc anti-HIV activity: implications for the clinical development of novel CCR5 antagonists. Antiviral Res. 2009 Jul;83(1):86-9. | |||
| REF 5 | Tyrosine sulfation of the amino terminus of CCR5 facilitates HIV-1 entry. Cell. 1999 Mar 5;96(5):667-76. | |||
| REF 6 | Molecular cloning and functional expression of a new human CC-chemokine receptor gene. Biochemistry. 1996 Mar 19;35(11):3362-7. | |||
| REF 7 | Molecular cloning and radioligand binding characterization of the chemokine receptor CCR5 from rhesus macaque and human. Biochem Pharmacol. 2005 Dec 19;71(1-2):163-72. | |||
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