Details of the Drug

General Information of Drug (ID: DMRSG31)

Drug Name
BCX-3408
Synonyms
ULODESINE; 548486-59-5; UNII-JNG8L9460Y; JNG8L9460Y; CHEMBL269864; DADMe-immucillin H; Ulodesine [USAN:INN]; Ulodesine (USAN); DADMe-ImmH,7; 1n3i; AC1L9KNW; 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one; R-3421; SCHEMBL474735; SCHEMBL16320802; CTK5A2657; BDBM22109; DTXSID00203332; AKOS030554378; DB12353; SB17254; D10431; 4H-Pyrrolo[3,2-d]pyrimidin-4-one,1,5-dihydro-7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl]-; BCX-4208; Ulodesine
Indication
Disease Entry ICD 11 Status REF
Autoimmune diabetes 5A10 Phase 2 [1]
Gout FA25 Phase 2 [1]
Plaque psoriasis EA90.0 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 264.28
Logarithm of the Partition Coefficient (xlogp) -1.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C12H16N4O3
IUPAC Name
7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Canonical SMILES
C1[C@@H]([C@H](CN1CC2=CNC3=C2N=CNC3=O)O)CO
InChI
InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1
InChIKey
AFNHHLILYQEHKK-BDAKNGLRSA-N
Cross-matching ID
PubChem CID
135449518
CAS Number
548486-59-5
TTD ID
D02ZKR
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Purine nucleoside phosphorylase (PNP) TTMCF1Y PNPH_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Autoimmune diabetes
ICD Disease Classification 5A10
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Purine nucleoside phosphorylase (PNP) DTT PNP 3.67E-04 1.95 2.55
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01407874) A Randomized, Double-Blind, Dose-Response Study of the Safety and Uric Acid Effects of Oral Ulodesine Added to Allopurinol in Subjects With Gout and Concomitant Moderate Renal Insufficiency. U.S. National Institutes of Health.
2 BCX-4208 (RO5092888), a Purine Nucleoside Phosphorylase (PNP) Inhibitor, Is a Novel, Potent Orally Active Anti-T-Cell and B-Cell Agent. 50th ASH Annual Meeting and Exposition. 2008.