Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00115)
Name
Ceritinib
Synonyms    Click to Show/Hide the Synonyms of This API
ceritinib; LDK378; 1032900-25-6; ZYKADIA; LDK-378; NVP-LDK378-NX; 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine; LDK 378; UNII-K418KG2GET; Ceritinib free base; Ceritinib(LDK378); K418KG2GET; CHEMBL2403108; CHEBI:78432; 1032900-25-6 (free base); 5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine; C28H36ClN5O3S; 5-Chloro-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-N2-[5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl]-2,4-pyrimidinediamine; 5-Chloro-N~2~-[5-Methyl-4-(Piperidin-4-Yl)-2-(Propan-2-Yloxy)phenyl]-N~4~-[2-(Propan-2-Ylsulfonyl)phenyl]pyrimidine-2,4-Diamine; 5-Chloro-N2-(5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl)-N4-(2-(propane-2-sulfonyl)phenyl)pyrimidine-2,4-diamine; 5-Chloro-N2-[2-isopropoxy-5-Methyl-4-(4-piperidyl)phenyl]-N4-(2-isopropylsulfonylphenyl)pyriMidine-2,4-diaMine; 5-Chloro-N4-[2-[(1methylethyl)sulfonyl]phenyl]-N2-[5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl]-2,4-pyrimidinediamine;5-Chloro-N4-[2-[(1methylethyl)sulfonyl]phenyl]-N2-[5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl]-2,4-pyrimidinediamine; Ceritinib [USAN:INN]; ceritinibum; 5-chloro-N2-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine; Zykadia (TN); LDK378 Certinib; Ceritinib; LDK378; LDK378(Ceritinib); Eritinib (LDK378); LDK-378; Zykadia; NVP-LDK-378-NX; Ceritinib (JAN/USAN/INN); GTPL7397; SCHEMBL1014329; DTXSID10725373; EX-A187; SYN1199; HMS3652H22; HMS3673I17; HMS3747A11; AOB31713; BCP07611; 2510AH; BDBM50436850; MFCD26142648; NSC776422; NSC777193; NSC800072; ZINC96272772; AKOS025396438; CCG-264762; CS-1406; DB09063; GS-6356; NSC-776422; NSC-777193; NSC-800072; QC-5183; SB16490; compound 15b [PMID 23742252]; NCGC00351603-10; NCGC00351603-13; NCGC00351603-15; 2,4-Pyrimidinediamine, 5-chloro-N4-(2-((1-methylethyl)sulfonyl)phenyl)-N2-(5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl)-; AC-27469; AK174337; HY-15656; AB0096053; FT-0697208; SW219725-1; D10551; W-6123; J-690011; Q21011233; N-{2-Methyl-5-[(methylamino)methyl]phenyl}-4-[(4-phenyl-2-quinazolinyl)amino]benzamide; 5-chloro-N(2)-{5-methyl-4-(piperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N(4)-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine; 5-Chloro-N2-(2-isopropoxy-5-methyl-4-piperidin-4-yl-phenyl)-N4-[2-(propane-2-sulfonyl)-phenyl]-pyrimidine-2,4-diamine; N-{2-[(5-chloro-2-{[2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propane-2-sulfonamide
Clinical Status
Approved
Disease Indication Lung cancer ICD-11: 2C25 [1]
PubChem CID
57379345
Formula
C28H36ClN5O3S
Canonical SMILES
CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl
InChI
1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
InChIKey
VERWOWGGCGHDQE-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=57379345"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 558.1 Topological Polar Surface Area 114
XlogP 6.4 Complexity 835
Heavy Atom Count 38 Rotatable Bond Count 9
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8
Full List of Drug Formulations (DFMs) Containing This API
          Ceritinib 150 mg capsule 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
Fd&c blue no. 2; Magnesium stearate; Titanium dioxide; Silicon dioxide; Cellulose, microcrystalline; Gelatin; Hydroxypropyl cellulose (type h); Sodium starch glycolate type a potato
                   Dosage Form Oral Capsule
                   Company Novartis Pharmaceuticals Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved ceritinib from the official website of the U.S. Food and Drug Administration.
2 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
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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