Details of the Drug

General Information of Drug (ID: DMJFKSU)

Drug Name
FAICAR
Synonyms
Faicar; phosphoribosyl formamidocarboxamide; 5-Formamidoimidazole-4-carboxamide ribotide; 13018-54-7; CHEBI:18381; 5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide; 5'-Phosphoribosyl-5-formamido-4-imidazolecarboxamide; 5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide; 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide; 5-(Formylamino)-1-(5-O-Phosphono-Beta-D-Ribofuranosyl)-1h-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): 2 Molecular Weight (mw) 366.22
Logarithm of the Partition Coefficient (xlogp) -4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C10H15N4O9P
IUPAC Name
[(2R,3S,4R,5R)-5-(4-carbamoyl-5-formamidoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N
InChI
InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
InChIKey
ABCOOORLYAOBOZ-KQYNXXCUSA-N
Cross-matching ID
PubChem CID
166760
ChEBI ID
CHEBI:18381
CAS Number
13018-54-7
TTD ID
D0Z5WG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphoribosylaminoimidazolecarboxamide formyltransferase (ATIC) TT9NVXQ PUR9_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase. J Biol Chem. 2007 Apr 27;282(17):13033-46.