Details of the Drug

General Information of Drug (ID: DM70UQR)

Drug Name
FR221647
Synonyms
FR-221647; CHEMBL13696; 256461-28-6; 1H-Imidazole-4-carboxamide, 1-[1-(hydroxymethyl)-3-phenylpropyl]-; 1H-Imidazole-4-carboxamide, 1-(1-(hydroxymethyl)-3-phenylpropyl)-; FR221647; ZUYUIKKHHBEVHL-UHFFFAOYSA-N; AC1MHQ05; SCHEMBL7659103; CTK0J3882; BDBM22917; imidazole-4-carboxamide derivative, 1; AKOS030619368; 1-(1-hydroxy-4-phenyl-2-butyl)imidazole-4-carboxamide; 1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide; 1-[1-(hydroxymethyl)-3-phenyl-propyl]imidazole-4-carboxamide
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) 259.3
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H17N3O2
IUPAC Name
1-[(2R)-1-hydroxy-4-phenylbutan-2-yl]imidazole-4-carboxamide
Canonical SMILES
C1=CC=C(C=C1)CC[C@H](CO)N2C=C(N=C2)C(=O)N
InChI
InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)/t12-/m1/s1
InChIKey
ZUYUIKKHHBEVHL-GFCCVEGCSA-N
Cross-matching ID
PubChem CID
447340
CAS Number
256461-28-6
DrugBank ID
DB02096
TTD ID
D0L5XY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine deaminase (ADA) TTLP57V ADA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.