Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01108)
Name
Fostemsavir
Synonyms    Click to Show/Hide the Synonyms of This API
Fostemsavir; 864953-29-7; BMS-663068; BMS-663068 free acid; BMS 663068; Fostemsavir(BMS-663068); UNII-97IQ273H4L; Fostemsavir [USAN]; 97IQ273H4L; 864953-29-7(free base); Fostemsavir (USAN); [3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate; BMS663068; (3-(2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl)methyl dihydrogen phosphate; Rukobia; fostemsavir & N6; [3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate; 1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-((phosphonooxy)methyl)-1H-pyrrolo(2,3-c)pyridin-3-yl)-; 1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-; fostemsavir & PG16; fostemsavir & 4Dm2m; fostemsavir & VRC03; fostemsavir & CH106; fostemsavir & 35O22; fostemsavir & PGT128; fostemsavir & 3BNC117; fostemsavir & PG16-iMab; fostemsavir & PGT128-iMab; fostemsavir & VRC07-523; SCHEMBL754395; Fostemsavir; BMS-663068; CHEMBL3301594; C25H26N7O8P; GTPL11100; DTXSID40235596; fostemsavir & NIH45-46G54W; BCP13226; EX-A1973; 3502AH; BMS-626529 & 4Dm2m; HY-15440A; ZINC14210883; BMS-626529 & PG16-iMab; BMS-663038; CS-1059; DB11796; GSK3684934; SB11250; BMS-626529 & PGT128-iMab; BMS626-529 & VRC03; GSK-3684934; BMS-626529 & N6; BMS-626529 & PG16; compound 35 [PMID: 29271653]; AC-30663; BMS-626529 & PGT128; Piperazine, 1-benzoyl-4-((4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-((phosphonooxy)methyl)-1H-pyrrolo(2,3-c)pyridin-3-yl)oxoacetyl)-; BMS-626529 & CH106; BMS-626529 & 3BNC117; BMS-626529 & 35O22; A15025; BMS-626529 & VRC07-523; BMS626-529 & NIH45-46G54W; D10707; W-5998; Q17001240; ({3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl}methoxy)phosphonic acid; (3-((4-Benzoyl-1-piperazinyl)(oxo)acetyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo(2,3-c)pyridin-1-yl)methyl dihydrogen phosphate
Clinical Status
Approved
PubChem CID
11319217
Formula
C25H26N7O8P
Canonical SMILES
CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OC
InChI
1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)
InChIKey
SWMDAPWAQQTBOG-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=11319217"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 583.5 Topological Polar Surface Area 182
XlogP -0.1 Complexity 1020
Heavy Atom Count 41 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11
Full List of Drug Formulations (DFMs) Containing This API
          Fostemsavir 600mg Extended-Release 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; Hydroxypropyl Cellulose; Hypromellose; Magnesium Stearate; Iron Oxide Red; Iron Oxide Yellow; Polyethylene Glycol; Polyvinyl Alcohol; Talc; Titanium Dioxide
                   Dosage Form Extended-Release Tablet
                   Company Viiv Healthcare
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hydroxypropyl cellulose DIG Info Mephenytoin 4-hydroxylase (EC50 = 89.5 uM) [1]
Hypromellose DIG Info Cytochrome P450 3A5 (IC50 = 19.4 uM) [1]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [1]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Polyethylene glycol 4000 DIG Info Albendazole monooxygenase (Inhibition ratio < 40 %) [3]
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
3 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.

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