General Information of the Compound
| Compound ID |
CP0075209
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| Compound Name |
(2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE
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| Synonyms |
(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE
(2xi,3beta,4'beta,19xi)-vincaleukoblastine
1H-Indolizino(8,1-cd)carbazole-5-carboxylic acid
NDC 0002-1452-01
Nincaluicolflastine
Rozevin
VLB
VR-8
Vinblastin
Vinblastina
Vinblastina (TN)
Vinblastina [DCIT]
Vinblastine
Vinblastine (INN)
Vinblastine [INN:BAN]
Vinblastinum
Vinblastinum [INN-Latin]
Vincaleucoblastin
Vincaleucoblastine
Vincaleukoblastine
Vincoblastine
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| Structure |
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| Formula |
C46H58N4O9
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| Molecular Weight |
810.989
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| Canonical SMILES |
CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
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| InChI |
InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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| InChIKey |
JXLYSJRDGCGARV-CFWMRBGOSA-N
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| CAS |
865-21-4
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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: PT03217, ATP-binding cassette sub-family C member 2
Protein ID: PT06079, ATP-dependent translocase ABCB1
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Protein ID: PT01685, ATP-dependent translocase ABCB1
Protein ID: PT04542, Bile salt export pump
Protein ID: PT06109, Geminin
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 61.66 nM
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TI
LI
LO
TS
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Clinical Information about the Compound