Structure via PubChem · Public domain (PubChem)
cenicriviroc
Sign in to saveAlso known as TAK 652, TAK-652, TAK652
Cenicriviroc (INN, code names TAK-652, TBR-652, commonly abbreviated as CVC) is an experimental drug candidate for the treatment of HIV infection and in combination with Tropifexor for non-alcoholic steatohepatitis. It is being developed by Takeda and Tobira Therapeutics.
Chemical data
- Formula
- C41H52N4O4S
- Molecular weight
- 696.9 g/mol
- IUPAC name
- (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
- SMILES
- CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)[S@@](=O)CC5=CN=CN5CCC)CC(C)C
- InChIKey
- PNDKCRDVVKJPKG-WHERJAGFSA-N
- XLogP
- 7.5
- Polar surface area
- 105 Ų
- H-bond donors
- 1
- H-bond acceptors
- 7
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 3
- Molecule type
- Small molecule
- Indications
- HIV-1 infection, sclerosing cholangitis, infection, liver disease
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 696.370927
- Has use
- medication
Show 4 more facts
- chemical formula
- C₄₁H₅₂N₄O₄S
- isomeric SMILES
- CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)[S@@](=O)CC5=CN=CN5CCC)CC(C)C
- canonical SMILES
- CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)C
- physically interacts with
- C-C motif chemokine receptor 5
Sources (2)
via Wikidata · CC0
~3 min read
Encyclopedic overview
2 sectionsContents
- See also
- References
{{Chembox | Verifiedfields = changed | Watchedfields = changed | verifiedrevid = 451756573 | ImageFile = Cenicriviroc.svg | ImageClass = skin-invert-image | ImageSize = 315px | ImageAlt = | PIN = (5E)-8-[4-(2-Butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-{4-[(S)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]phenyl}-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide | OtherNames = TAK-652; TBR-652
| Section1 =
Excerpted from Wikipedia’s “cenicriviroc” article, available under the CC BY-SA 4.0 licence.