| Compound | Vincristine sulfate |
| NPACT-Id | NPACT01373 |
| IUPAC | - |
| Synonyms | Vincristine sulfate;Kyocristine;Onkovin;Vincrisul;VCR sulfate;Vincrex;Lilly 37231;Vincasar PFS;Oncovin |
| PubChem Id | 249332 |
| Class | Alkaloids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | AQTQHPDCURKLKT-JKDPCDLQSA-N |
| InChi | 1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-3 |
| SMILES | S(=O)(=O)(O)O.O([C@@H]1[C@]2([C@@H]3N(CC[C@@]43[C@@H](N(c3c4cc(c(OC)c3)[C@]3(C[C@H]4C[C@](O)(CN(C4)CCc4c3[nH]c3c4cccc3)CC)C(=O)OC)C=O)[C@@]1(O)C(=O)OC)CC=C2)CC)C(=O)C |
|
SMART | [H]O[S@](=O)(=O)O[H].[H]O[C@@]1(C(=O)OC([H])([H])[H])[C@]2([H])N(C([H])=O)C3=C([H])C(OC([H])([H])[H])=C(C([H])=C3[C@@]22C([H])([H])C([H])([H])[N@]3C([H])([H])C([H])=C([H])[C@](C([H])([H])C([H])([H])[H])([C@@]23[H])[C@@]1([H])OC(=O)C([H])([H])[H])[C@]1(C(=O)OC([H])([H])[H])C2=C(C3=C([H])C([H])=C([H])C([H])=C3N2[H])C([H])([H])C([H])([H])[N@@]2C([H])([H])[C@]([H])(C([H])([H])[C@@](O[H])(C([H])([H])C([H])([H])[H])C2([H])[H])C1([H])[H] |
| CAS No. | 2068-78-2 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | D014750 |
| HIT | - |
| NCI-60 GI50 data | 2068-78-2 |
| Suppliers | ABI Chem, Ambinter, ChemMol, IS Chemical Technology, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |