Details of the Drug

General Information of Drug (ID: DMHLYUM)

Drug Name

Formycin B

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)

268.23

Topological Polar Surface Area (xlogp)

-2.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C10H12N4O5
IUPAC Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
Canonical SMILES: C1=NC2=C(NN=C2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
InChIKey: MTCJZZBQNCXKAP-KSYZLYKTSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ)	TTBL49X	HGXR_PLAFG	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4737).
2	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
3	6-oxopurine phosphoribosyltransferase inhibitors. US9200020.
4	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.