NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundVincristine sulfate
NPACT-IdNPACT01373
IUPAC-
SynonymsVincristine sulfate;Kyocristine;Onkovin;Vincrisul;VCR sulfate;Vincrex;Lilly 37231;Vincasar PFS;Oncovin
PubChem Id249332
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAQTQHPDCURKLKT-JKDPCDLQSA-N
InChi1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-3
SMILESS(=O)(=O)(O)O.O([C@@H]1[C@]2([C@@H]3N(CC[C@@]43[C@@H](N(c3c4cc(c(OC)c3)[C@]3(C[C@H]4C[C@](O)(CN(C4)CCc4c3[nH]c3c4cccc3)CC)C(=O)OC)C=O)[C@@]1(O)C(=O)OC)CC=C2)CC)C(=O)C
SMART[H]O[S@](=O)(=O)O[H].[H]O[C@@]1(C(=O)OC([H])([H])[H])[C@]2([H])N(C([H])=O)C3=C([H])C(OC([H])([H])[H])=C(C([H])=C3[C@@]22C([H])([H])C([H])([H])[N@]3C([H])([H])C([H])=C([H])[C@](C([H])([H])C([H])([H])[H])([C@@]23[H])[C@@]1([H])OC(=O)C([H])([H])[H])[C@]1(C(=O)OC([H])([H])[H])C2=C(C3=C([H])C([H])=C([H])C([H])=C3N2[H])C([H])([H])C([H])([H])[N@@]2C([H])([H])[C@]([H])(C([H])([H])[C@@](O[H])(C([H])([H])C([H])([H])[H])C2([H])[H])C1([H])[H]
CAS No.2068-78-2
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   D014750
HIT   -
NCI-60 GI50 data   2068-78-2
Suppliers ABI Chem, Ambinter, ChemMol, IS Chemical Technology, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.