NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundEvodiamine
NPACT-IdNPACT01204
IUPAC-
SynonymsIsoevodiamine;Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-;Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)-;
PubChem Id151289
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsBCL2 | CASP7 | CASP9 | CDC25C | RAF1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyTXDUTHBFYKGSAH-UHFFFAOYSA-N
InChi1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3
SMILESO=C1N2C(N(c3c1cccc3)C)c1[nH]c3c(c1CC2)cccc3
SMART[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1[C@@]1([H])N(C3=C([H])C([H])=C([H])C([H])=C3C(=O)N1C([H])([H])C2([H])[H])C([H])([H])[H]
CAS No.518-17-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C049639
HIT   C0362
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, Selleck Chemicals, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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