General Information of the Compound
| Compound ID |
CP0048107
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}pyrrolidine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Synonyms |
(2S)-(((3-hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile
(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
2-Pyrrolidinecarbonitrile, 1-[[(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)amino]acetyl]-, (2S)-(9CI)
Equa
Galvu
Galvus
Galvus (TN)
Jalra
Vidagliptin (see Vildagliptin)
Vildagliptin
Vildagliptin (JAN/USAN/INN)
Xiliarx
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H25N3O2
|
||||||||||||||||||
| Molecular Weight |
303.406
|
||||||||||||||||||
| Canonical SMILES |
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYOKIDBDQMKNDQ-XWTIBIIYSA-N
|
||||||||||||||||||
| CAS |
274901-16-5
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00989, Dipeptidyl peptidase 2
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9
Protein ID: PT03315, Prolyl endopeptidase FAP
Protein ID: PT01241, Prolyl endopeptidase FAP
Clinical Information about the Compound