Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00852)
Name
Avatrombopag
Synonyms    Click to Show/Hide the Synonyms of This API
AVATROMBOPAG; 570406-98-3; AKR-501; Doptelet; UNII-3H8GSZ4SQL; Avatrombopag free base; YM477; E5501; 3H8GSZ4SQL; 570406-98-3 (free base); YM-477; E5501;AKR-501;YM477; 1-[3-chloro-5-[[[4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl]amino]carbonyl]-2-pyridinyl]-4-piperidinecarboxylic acid; (1-(3-chloro-5-((4-(4-chloro-2-thienyl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl)carbamoyl)-2-pyridyl)piperidine-4-carboxylic acid); 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid; AKR 501; Avatrombopag [USAN:INN]; E-5501; E5501 compound; YM 477; AS 1670542; Avatrombopag (USAN/INN); E 5501; SCHEMBL289354; AKR501; GTPL9953; CHEMBL2103883; DTXSID30205667; AMY40535; BCP28031; s6624; ZINC72190218; CS-3397; DB11995; SB16846; HY-13463; DB-072238; FT-0728753; A14087; D10306; AKR-501;E5501;AS1670542; Q27257213; 1-(3-chloro-5-((4-(4-chloro-2-thienyl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl)carbamoyl)-2-pyridyl)piperidine-4-carboxylic acid; 1-[3-Chloro-5-[[4-(4-chloro-2-thienyl)-5-(4-cyclohexylpiperazino)-2-thiazolyl]carbamoyl]-2-pyridyl]piperidine-4-carboxylic acid; 4-Piperidinecarboxylic acid, 1-(3-chloro-5-(((4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl)amino)carbonyl)-2-pyridinyl)-
Clinical Status
Approved
PubChem CID
9852519
Formula
C29H34Cl2N6O3S2
Canonical SMILES
C1CCC(CC1)N2CCN(CC2)C3=C(N=C(S3)NC(=O)C4=CC(=C(N=C4)N5CCC(CC5)C(=O)O)Cl)C6=CC(=CS6)Cl
InChI
1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)
InChIKey
OFZJKCQENFPZBH-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=9852519"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 649.7 Topological Polar Surface Area 158
XlogP 4 Complexity 935
Heavy Atom Count 42 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 10
Full List of Drug Formulations (DFMs) Containing This API
          Avatrombopag 20 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
Lactose Monohydrate; Colloidal Silicon Dioxide; Crospovidone; Magnesium Stearate; Microcrystalline Cellulose; Polyvinyl Alcohol; Talc; Polyethylene Glycol; Titanium Dioxide; Ferric Oxide Yellow
                   Dosage Form Tablet
                   Company Akarx
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [1]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Crospovidone 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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