NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound9-Aminocamptothecin
NPACT-IdNPACT01108
IUPAC-
SynonymsCamptothecin, 9-amino-;9-AC;9-Amino-20-(S)-camptothecin;9-Amino-20-camptothecin;(4s)-10-amino-4-ethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione;(S)-10-Amino-4-ethyl-4-hydroxy-1H-pyrano(3;,4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione;1H-Pyrano(3;,4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (S)-;
PubChem Id72402
ClassAlkaloids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsTOP1MT |   All | 
Properties Physical   Elemental  Topological
InChi KeyFUXVKZWTXQUGMW-FQEVSTJZSA-N
InChi1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
SMILESO1Cc2c([C@@](O)(CC)C1=O)cc1n(Cc3c1nc1c(c3)c(N)ccc1)c2=O
SMART[H]O[C@@]1(C(=O)OC([H])([H])C2=C1C([H])=C1N(C2=O)C([H])([H])C2=C([H])C3=C(N([H])[H])C([H])=C([H])C([H])=C3N=C12)C([H])([H])C([H])([H])[H]
CAS No.91421-43-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD    C080125
HIT   -
NCI-60 GI50 data   91421-43-1
Suppliers AAA Chemistry, ABI Chem, Ambinter, IS Chemical Technology, Kingston Chemistry, TCI (Tokyo Chemical Industry), Tractus, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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