NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundchloroquine
NPACT-IdNPACT01169
IUPAC-
SynonymsAralen;Artrichin;Chemochin;Chlorochin;Reumachlor;Capquin;Arthrochin;Chloraquine;Chloroquina;Chloroquinium;Clorochina;Dichinalex;Pfizerquine;Quinachlor;Bemaphate;Bemasulph;Benaquin;Bipiquin;Chingamin;Chlorquin;Cidanchin;Cocartrit;Elestol;Gontochin;Heliopar;Iroquine;Klorokin;Lapaquin;Malaquin;Malaren;Malarex;Mesylith;Neochin;Quinercyl;Quinilon;Quinoscan;Resoquine;Roquine;Sanoquin;Silbesan;Siragan;Solprina;Sopaquin;Tresochin;Trochin;Amokin;Bemaco;Imagon;Nivaquine B;Avloclor;Quingamine;Resochin;Arechin;Delagil;Tanakan;Chlorochine;Chlorochinum;Chloroquinum;Quinagamine;Avlochlor;Cloroquina;Nivachine;Quinagamin;
PubChem Id2719
ClassOrganic chemical
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsAKT1 | MAPK3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyWHTVZRBIWZFKQO-UHFFFAOYSA-N
InChi1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
SMILESClc1cc2nccc(NC(CCCN(CC)CC)C)c2cc1
SMART[H]N(C1=C2C([H])=C([H])C(Cl)=C([H])C2=NC([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[N@](C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]
CAS No.54-05-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   D002738
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Alsachim, Ambinter, ChemMol, Therapeutic Targets Database, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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