General Information of the Compound
| Compound ID |
CP0020453
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| Compound Name |
US10081622, Compound 11
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| Synonyms |
1108743-60-7
Benzamide, N-(5-((3,5-difluorophenyl)methyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-((tetrahydro-2H-pyran-4-yl)amino)-
Benzamide, N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]-
CHEMBL1983268
Entrectinib
Entrectinib (RXDX-101)
Entrectinib (USAN/INN)
Entrectinib [USAN:INN]
Entrectinib(rxdx-101)
GTPL8290
KS-00000TSK
Kinome_2659
L5ORF0AN1I
RXDX-101
SCHEMBL3512601
UNII-L5ORF0AN1I
YMX
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| Structure |
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| Formula |
C31H34F2N6O2
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| Molecular Weight |
560.649
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
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| InChI |
InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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| InChIKey |
HAYYBYPASCDWEQ-UHFFFAOYSA-N
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| CAS |
1108743-60-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00934, High affinity nerve growth factor receptor
Clinical Information about the Compound
Drug 1 ( Entrectinib )
| Drug Name | Entrectinib | ||
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| Company | Ignyta | ||
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