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
ChEBI ID
CHEMBL379542
TTD ID
D0U4TA
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.