NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTamoxifen
NPACT-IdNPACT01343
IUPAC-
SynonymsCrisafeno;Nolvadex;Diemon;Citofen;Istubol;Oncomox;Retaxim;Tamizam;Tamoxen
PubChem Id2733526
ClassSimple aromatic natural products
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsVEGFA |   All | 
Properties Physical   Elemental  Topological
InChi KeyNKANXQFJJICGDU-QPLCGJKRSA-N
InChi1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
SMILESO(c1ccc(/C(=C(/CC)c2ccccc2)/c2ccccc2)cc1)CCN(C)C
SMART[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=C(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[N@@](C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]
CAS No.10540-29-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   D013629
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, Ambinter, Sigma-Aldrich, Therapeutic Targets Database, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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