Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00468)
Name
Nilotinib
Synonyms    Click to Show/Hide the Synonyms of This API
Nilotinib; 641571-10-0; Tasigna; AMN107; AMN 107; AMN-107; Nilotinib(AMN-107); Nilotinib (AMN-107); Nilotinib free base; UNII-F41401512X; CHEMBL255863; C28H22F3N7O; CHEBI:52172; 641571-10-0 (free base); MFCD09833716; NSC747599; F41401512X; Nilotinib & its intermediates; nilotinibum; SMR002544680; Nilotinib [USAN:INN:BAN]; Nilotinib/; HSDB 7842; PubChem18272; Nilotinib (USAN/INN); EC 700-544-5; SCHEMBL7901; cc-353; MLS003915611; MLS006010160; GTPL5697; DTXSID5042663; QCR-112; SYN1057; BCPP000149; HMS3244A13; HMS3244A14; HMS3244B13; HMS3295A23; HMS3654M07; HMS3748E11; AOB87115; BCP01367; ZINC6716957; ABP000478; AC-647; ANW-41982; BDBM50237710; NSC800804; AKOS005063561; BCP9000989; CCG-264784; CS-0102; DB04868; NSC-747599; NSC-800804; SB17315; NCGC00183285-01; NCGC00183285-03; NCGC00183285-04; NCGC00183285-09; NCGC00183285-15; AK-59889; AS-16214; BR-59889; HY-10159; AB0007991; AM20090651; FT-0654026; SW218083-2; EC-000.2344; D08953; N-8207; S-6060; 49312-EP2270008A1; 49312-EP2292617A1; 49312-EP2305667A2; 49312-EP2311840A1; 78680-EP2305667A2; AB01273978-01; AB01273978-02; AB01273978_03; 139316-EP2270008A1; 139316-EP2292617A1; 571N100; Q412327; SR-01000931150; Q-101348; SR-01000931150-2; BRD-K81528515-001-04-7; 1353151-22-0
Clinical Status
Approved
Disease Indication Chronic myelogenous leukaemia ICD-11: 2A20 [1]
PubChem CID
644241
Formula
C28H22F3N7O
Canonical SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI
1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
InChIKey
HHZIURLSWUIHRB-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=644241"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 529.5 Topological Polar Surface Area 97.6
XlogP 4.9 Complexity 817
Heavy Atom Count 39 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Full List of Drug Formulations (DFMs) Containing This API
          Nilotinib Hydrochloride Monohydrate eq 50mg base 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
Colloidal Silicon Dioxide; Crospovidone; Lactose Monohydrate; Magnesium Stearate; Poloxamer 188; Gelatin; Iron Oxide (Red); Iron Oxide (Yellow); Iron Oxide (Black); Titanium Dioxide
                   Dosage Form Capsule
                   Company Novartis
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [2]
Poloxamer 188 DIG Info Albendazole monooxygenase (IC50 = 60 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
          Nilotinib Hydrochloride Monohydrate eq 150mg base 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
Colloidal Silicon Dioxide; Crospovidone; Lactose Monohydrate; Magnesium Stearate; Poloxamer 188; Gelatin; Iron Oxide (Red); Iron Oxide (Yellow); Iron Oxide (Black)=; Titanium Dioxide
                   Dosage Form Capsule
                   Company Novartis
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [2]
Poloxamer 188 DIG Info Albendazole monooxygenase (IC50 = 60 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
          Nilotinib Hydrochloride Monohydrate eq 200mg base 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
Colloidal Silicon Dioxide; Crospovidone; Lactose Monohydrate; Magnesium Stearate; Poloxamer 188; Gelatin; Iron Oxide (Red); Iron Oxide (Yellow); Iron Oxide (Black)=; Titanium Dioxide
                   Dosage Form Capsule
                   Company Novartis
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [2]
Poloxamer 188 DIG Info Albendazole monooxygenase (IC50 = 60 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
          Nilotinib 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
Lactose monohydrate; Magnesium stearate; Ferric oxide red; Ferric oxide yellow; Titanium dioxide; Crospovidone; Poloxamer 188; Silicon dioxide; Gelatin
                   Dosage Form Oral Capsule
                   Company Novartis Pharmaceuticals Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Poloxamer 188 DIG Info Albendazole monooxygenase (IC50 = 60 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
          Nilotinib 200 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
Lactose monohydrate; Magnesium stearate; Ferric oxide red; Ferric oxide yellow; Titanium dioxide; Crospovidone; Poloxamer 188; Silicon dioxide; Gelatin
                   Dosage Form Oral Capsule
                   Company Novartis Pharmaceuticals Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Poloxamer 188 DIG Info Albendazole monooxygenase (IC50 = 60 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved nilotinib from the official website of the U.S. Food and Drug Administration.
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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