Details of the Drug

General Information of Drug (ID: DMN1G8L)

Drug Name
(S)-2-amino-N-(1-cyano-2-phenylethyl)acetamide
Synonyms CHEMBL379542; (S)-2-amino-N-(1-cyano-2-phenylethyl)acetamide; Acetamide, 2-amino-N-[(1S)-1-cyano-2-phenylethyl]-; BDBM50186094
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) 203.24
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H13N3O
IUPAC Name
2-amino-N-[(1S)-1-cyano-2-phenylethyl]acetamide
Canonical SMILES
C1=CC=C(C=C1)C[C@@H](C#N)NC(=O)CN
InChI
InChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15)/t10-/m0/s1
InChIKey
QLVGHFBUSGYCCG-JTQLQIEISA-N
Cross-matching ID
PubChem CID
44413276
TTD ID
D0U4TA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dipeptidyl peptidase I (CTSC) TT4H0V2 CATC_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Dipeptidyl nitriles as human dipeptidyl peptidase I inhibitors. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3614-7.