General Information of the Compound
| Compound ID |
CP0005166
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| Compound Name |
BMS-354825
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| Synonyms |
BMS 354825
BMS-354825
BMS-354825, Sprycel, BMS354825, Dasatinib
BMS354825
Dasatinib
Dasatinib (USAN)
Dasatinib [USAN]
Dasatinib anhydrous
Dasatinib, BMS 354825
Dasatinibum
Sprycel
Sprycel (TN)
Spyrcel
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| Structure |
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| Formula |
C22H26ClN7O2S
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| Molecular Weight |
488.017
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| Canonical SMILES |
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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| InChIKey |
ZBNZXTGUTAYRHI-UHFFFAOYSA-N
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| CAS |
302962-49-8
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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: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT04542, Bile salt export pump
Protein ID: PT06109, Geminin
Protein ID: PT02178, LIM domain kinase 1
Protein ID: PT01347, LIM domain kinase 2
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
GI50 > 10000 nM
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TI
LI
LO
TS
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| CL000091 | MV4-11 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 3600 nM
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TI
LI
LO
TS
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Clinical Information about the Compound
Drug 1 ( Dasatinib )
| Drug Name | Dasatinib | ||
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| Company | Bristol Myers Squibb | ||
| Indication | |||
| Target(s) |
Proto-oncogene c-Src (SRC)
Inhibitor
LCK tyrosine protein kinase (LCK)
Inhibitor
Fyn tyrosine protein kinase (FYN)
Inhibitor
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