Drug Details
| General Information of the Drug (ID: DR6872) | ||||
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| Name |
Nilotinib
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| Synonyms |
Nilotinib; 641571-10-0; Tasigna; AMN107; AMN 107; AMN-107; Nilotinib(AMN-107); Nilotinib (AMN-107); Nilotinib free base; 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide; UNII-F41401512X; 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide; CHEMBL255863; C28H22F3N7O; CHEBI:52172; Nilotinib-d6; 641571-10-0 (free base); MFCD09833716; NSC747599; 4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide; 4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzamide; 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide; 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide; F41401512X; 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-{(4-(pyridin-3-yl)pyrimidin-2-yl)amino}benzamide; 4-Methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide; benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-; Nilotinib & its intermediates; nilotinibum; 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide; 4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-phenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide; Nilotinib,AMN107,Tasigna;4-methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide; SMR002544680; Nilotinib [USAN:INN:BAN]; Nilotinib/; HSDB 7842; PubChem18272; 3gp0; 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; s1033; AKOS005063561; BCP9000989; CCG-264784; CS-0102; DB04868; NSC 747599; NSC-747599; NSC-800804; SB17315; NCGC00183285-01; NCGC00183285-03; NCGC00183285-04; NCGC00183285-09; NCGC00183285-15; 4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide; AK-59889; AS-16214; HY-10159; N-(3-(3-(1H-Imidazolyl)propoxy)phenyl)-4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzamide; AB0007991; AM20090651; FT-0654026; SW218083-2; V0705; 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; 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzamide; 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide; 4-methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide; 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino] benzamide; Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-; Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-; Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9CI)
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| Molecular Type |
Small molecule
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| Disease | Chronic myelogenous leukaemia [ICD-11: 2A20] | Approved | [1] | |
| Structure |
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| Formula |
C28H22F3N7O
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| PubChem CID | ||||
| 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
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| 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)
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| InChIKey |
HHZIURLSWUIHRB-UHFFFAOYSA-N
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| CAS Number |
CAS 641571-10-0
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| ChEBI ID | ||||
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| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Arsenic trioxide | Realgar and orpiment | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
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| Molecule(s)
Regulation |
Up-regulation | Expression | BTG1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | TAL1 | Molecule Info | |||
| In-vitro Model | Cells derived from the bone marrow of CML-BC patients | Chronic Myelogenous Leukemia | Homo sapiens | |||
| Experimental
Result(s) |
ATO and nilotinib treatment alone or in combination greatly suppressed cell proliferation but promoted the differentiation of CML-BC cells towards multiple-lineages. | |||||
| Target and Pathway | ||||
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| Target(s) | Fusion protein Bcr-Abl (Bcr-Abl) | Molecule Info | [3] | |
