NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundMelphalan
NPACT-IdNPACT01262
IUPAC-
SynonymsL-Sarcolysine;L-Phenylalanine mustard;Levofalan;Alkeran;Phenylalanine mustard;L-Sarkolysin;p-L-Sarcolysin;Melphalanum;Levofolan;Levopholan;Melfalano;Phenylalanine nitrogen mustard;4-[Bis(2-chloroethyl)amino]-L-phenylalanine;
PubChem Id460612
ClassUnknown
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsCD80 |   All | 
Properties Physical   Elemental  Topological
InChi KeySGDBTWWWUNNDEQ-LBPRGKRZSA-N
InChi1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1
SMILESClCCN(c1ccc(C[C@H](N)C(=O)O)cc1)CCCl
SMART[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C([H])([H])Cl)C([H])([H])C([H])([H])Cl
CAS No.148-82-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   D008558
HIT   -
NCI-60 GI50 data   -
Suppliers ABBLIS Chemicals, ABI Chem, Amadis Chemical, Ambinter, ChemMol, Hangzhou Trylead Chemical Technology, MolPort, Oakwood Products, 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

 






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