Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01530)
Name
Voxelotor
Synonyms    Click to Show/Hide the Synonyms of This API
Voxelotor; 1446321-46-5; Hemoglobin Modulators-1; GBT440; Oxbryta; GBT-440; GBT 440; GTX-011; 2-hydroxy-6-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)benzaldehyde; 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]benzaldehyde; UNII-3ZO554A4Q8; CHEMBL4101807; 3ZO554A4Q8; Voxelotor (USAN); Voxelotor [USAN]; 2-hydroxy-6-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)benzaldehyde; 2-hydroxy-6-((2-(1-(propan-2-yl)-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)benzaldehyde; Oxbryta (TN); GBT-440(Voxelotor); SCHEMBL15065529; GTPL10559; Voxelotor(GBT440, GTx011); BCP20182; EX-A2980; BDBM50235297; ZINC145969085; CCG-267884; CS-5317; DB14975; SB19656; compound 36 [PMID: 28337324]; AK547400; AS-57911; DA-44587; HY-18681; FT-0702904; S8540; D11330; GBT-440;GBT440;Voxelotor;GTx-011;GTx011;GTx 011; 2-hydroxy-6-((2-(1-isopropyl-1H-pyrazol-5-yl)-3-pyridinyl)methoxy)benzaldehyde; Benzaldehyde, 2-hydroxy-6-((2-(1-(1-methylethyl)-1H-pyrazol-5-yl)-3-pyridinyl)methoxy)-
Clinical Status
Approved
PubChem CID
71602803
Formula
C19H19N3O3
Canonical SMILES
CC(C)N1C(=CC=N1)C2=C(C=CC=N2)COC3=CC=CC(=C3C=O)O
InChI
1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3
InChIKey
FWCVZAQENIZVMY-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=71602803"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 337.4 Topological Polar Surface Area 77.2
XlogP 2.7 Complexity 434
Heavy Atom Count 25 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Full List of Drug Formulations (DFMs) Containing This API
          Voxelotor 500 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Colloidal Silicon Dioxide; Croscarmellose Sodium; Magnesium Stearate; Microcrystalline Cellulose; Sodium Lauryl Sulfate; Polyethylene Glycol 3350; Polyvinyl Alcohol; Talc; Titanium Dioxide; Yellow Iron Oxide
                   Dosage Form Tablet
                   Company Global Blood Therapeutics
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [1]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
Polyethylene glycol 3350 DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
References
1 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
2 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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