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
CHEMBL521310
CAS Number
13018-54-7
TTD ID
D0Z5WG
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
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.