Details of the Drug

General Information of Drug (ID: DMWG0P3)

Drug Name
Formycin
Synonyms
Formycin; formycin A; CHEBI:42452; 6742-12-7; (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol; FMC; 2qtt; NSC 102811; BRN 0624229; 1nc3; 8-Aza-9-deazaadenosine; AC1L9KKW; 7-Amino-3-beta-D-ribofuranosyl-1H-pyrazolo(4,3-d)pyrimidine; SCHEMBL980049; 1H-Pyrazolo(4,3-d)pyrimidine, 7-amino-3-beta-D-ribofuranosyl-; CHEMBL471524; KBHMEHLJSZMEMI-KSYZLYKTSA-N; ZINC18275505; API0010090; DB02281; D-Ribitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-, (S)- (9CI); D-Ribitol, 1-C-(7-amino-1H-pyrazolo[4
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): 1 Molecular Weight (mw) 267.24
Logarithm of the Partition Coefficient (xlogp) -2.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C10H13N5O4
IUPAC Name
(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES
C1=NC2=C(NN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1
InChIKey
KBHMEHLJSZMEMI-KSYZLYKTSA-N
Cross-matching ID
PubChem CID
447199
ChEBI ID
CHEMBL42452
CAS Number
6742-12-7
DrugBank ID
DB02281
TTD ID
D0NH1Y
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
Bacterial MTA/SAH nucleosidase (Bact mtnN) TTFSX6G MTNN_ECOLI Inhibitor [1]
S-methyl-5'-thioadenosine phosphorylase (MTAP) TTDBX7N MTAP_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.