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
CHEBI:42452
CAS Number
6742-12-7
DrugBank ID
DB02281
TTD ID
D0NH1Y

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.