Details of the Drug

General Information of Drug (ID: DMKVA6Z)

Drug Name
FE 999011
Synonyms
Tle-Pro-CN; UNII-I17T1J33X6; CHEMBL363250; I17T1J33X6; FE-999011; 171092-64-1; SCHEMBL369343; fe999011; BDBM50151003; ZINC53122800; 2-Pyrrolidinecarbonitrile, 1-(2-amino-3,3-dimethyl-1-oxobutyl)-, (S-(R*,R*))-; 2-Pyrrolidinecarbonitrile, 1-((2S)-2-amino-3,3-dimethyl-1-oxobutyl)-, (2S)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 209.29
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H19N3O
IUPAC Name
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidine-2-carbonitrile
Canonical SMILES
CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C#N)N
InChI
InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14-6-4-5-8(14)7-12/h8-9H,4-6,13H2,1-3H3/t8-,9+/m0/s1
InChIKey
XGNBIYXILDDDQR-DTWKUNHWSA-N
Cross-matching ID
PubChem CID
10130510
CAS Number
171092-64-1
TTD ID
D05XWX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dipeptidyl peptidase 4 (DPP-4) TTDIGC1 DPP4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dipeptidyl peptidase 4 (DPP-4) DTT DPP4 9.54E-01 -0.27 -1.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Chronic inhibition of circulating dipeptidyl peptidase IV by FE 999011 delays the occurrence of diabetes in male zucker diabetic fatty rats. Diabetes. 2002 May;51(5):1461-9.