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Structure via PubChem · Public domain (PubChem)
lapaquistat
Sign in to saveLapaquistat (TAK-475) is a cholesterol-lowering drug candidate that was abandoned before being marketed.
Chemical data
- Formula
- C31H39ClN2O8
- Molecular weight
- 603.1 g/mol
- IUPAC name
- 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid
- SMILES
- CC(C)(CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC)CO
- InChIKey
- HDGUKVZPMPJBFK-LEAFIULHSA-N
- XLogP
- 3.2
- Polar surface area
- 126 Ų
- H-bond donors
- 2
- H-bond acceptors
- 8
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 602.239
Show 4 more facts
- chemical formula
- C₃₁H₃₉ClN₂O₈
- isomeric SMILES
- CC(C)(CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC)CO
- canonical SMILES
- CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC)CO
- Commons category
- Lapaquistat
Sources (2)
via Wikidata · CC0
~2 min read
Encyclopedic overview
2 sectionsContents
- References
- Further reading
{{Infobox drug | Verifiedfields = changed | verifiedrevid = 462088993 | IUPAC_name = (1-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}piperidin-4-yl)acetic acid | image = Lapaquistat.svg | image_class = skin-invert-image
| tradename =
Excerpted from Wikipedia’s “lapaquistat” article, available under the CC BY-SA 4.0 licence.