forodesine Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
5229 209799-67-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • forodesine
  • forodesine hydrochloride
  • forodesine HCl
  • mundesine
  • fodosine
  • BCX-1777
  • Immucillin H
Forodesine is a transition state analogue that binds preferentially to and inhibits purine nucleotide phosphorylase (PNP), resulting in the accumulation of deoxyguanosine triphosphate and the subsequent inhibition of the enzyme ribonucleoside diphosphate reductase and DNA synthesis. This agent selectively causes apoptosis in stimulated or malignant T-lymphocytes. A transition state analogue is a substrate designed to mimic the properties or the geometry of the transition state of reaction.
  • Molecular weight: 266.26
  • Formula: C11H14N4O4
  • CLOGP: -2.47
  • LIPINSKI: 1
  • HAC: 8
  • HDO: 6
  • TPSA: 129.97
  • ALOGS: -1.78
  • ROTB: 2

Drug dosage:

None

ADMET properties:

PropertyValueReference
CL (Clearance) 1.56 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 11.60 hours Lombardo F, Berellini G, Obach RS

Approvals:

DateAgencyCompanyOrphan
March 30, 2017 PMDA Mundi Pharma

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

None

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Peripheral T-cell lymphoma indication 109977009

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 9.32 acidic
pKa2 12.91 acidic
pKa3 13.39 acidic
pKa4 13.93 acidic
pKa5 8.65 Basic
pKa6 5.46 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Purine nucleoside phosphorylase Enzyme INHIBITOR Ki 10.14 SCIENTIFIC LITERATURE SCIENTIFIC LITERATURE
Purine nucleoside phosphorylase Unclassified Ki 10.64 CHEMBL
Purine nucleoside phosphorylase Unclassified Ki 9.07 CHEMBL

External reference:

IDSource
426X066ELK UNII
8558 INN_ID
284490-13-7 SECONDARY_CAS_RN
428526006 SNOMEDCT_US
428525005 SNOMEDCT_US
135409409 PUBCHEM_CID
CHEBI:43362 CHEBI
CHEMBL218291 ChEMBL_ID
CHEMBL550755 ChEMBL_ID
D04245 KEGG_DRUG
DB06185 DRUGBANK_ID
C113101 MESH_SUPPLEMENTAL_RECORD_UI
8272 IUPHAR_LIGAND_ID

Pharmaceutical products:

None