Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1331 - Overview - Compound Synopsis

Synonyms
715Januvia
MK-0431SITAGLIPTIN
Sitagliptin
Molecular Formula
C16H15F6N5O
InChI
InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
Smiles
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F
Cross References
UniChem56079
canSAR1331
PDBe (Protein Data Bank Europe)715
ChEMBLCHEMBL1422
BindingDB11162
BindingDB13513
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 407.118079422.01652643Yes


Compounds with the same scaffold


Image of compound ID: 1331
Murko Scaffold Family: 858 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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