General Information of the Compound
| Compound ID |
CP0045281
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| Compound Name |
AZD0530
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| Synonyms |
AZD-0530
H8H
N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
Saracatinib
Saracatinib, AZD-0530, AZD0530
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| Structure |
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| Formula |
C27H32ClN5O5
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| Molecular Weight |
542.036
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| Canonical SMILES |
CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1
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| InChI |
InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
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| InChIKey |
OUKYUETWWIPKQR-UHFFFAOYSA-N
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| CAS |
379231-04-6
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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: PT00922, Epidermal growth factor receptor
Protein ID: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 220 nM
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TI
LI
LO
TS
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| CL000749 | HUVEC-C | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 5000 nM
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TI
LI
LO
TS
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Clinical Information about the Compound
Drug 1 ( Saracatinib )
| Drug Name | Saracatinib | ||
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| Company | AstraZeneca | ||
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