NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundbeta-carboline-1-propionic acid
NPACT-IdNPACT01144
IUPAC-
Synonyms3-(9H-Beta-carbolin-1-yl)propanoic acid;9H-Pyrido[3,4-B]indole-1-propanoic acid;
PubChem Id5375436
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCNUHEVWYPKFJHH-UHFFFAOYSA-N
InChi1S/C14H12N2O2/c17-13(18)6-5-12-14-10(7-8-15-12)9-3-1-2-4-11(9)16-14/h1-4,7-8,16H,5-6H2,(H,17,18)
SMILESOC(=O)CCc1nccc2c1[nH]c1c2cccc1
SMART[H]OC(=O)C([H])([H])C([H])([H])C1=NC([H])=C([H])C2=C1N([H])C1=C([H])C([H])=C([H])C([H])=C21
CAS No.89915-39-9
Structure
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Cross Refrence in other databases
Super Natural   089915399
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, MolPort, 
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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