Forodesine hydrochlorideProduct ingredient for Forodesine

Name
Forodesine hydrochloride
Drug Entry
Forodesine

Forodesine is a highly potent, orally active, rationally designed PNP inhibitor that has shown activity in preclinical studies with malignant cells and clinical utility against T-cell acute lymphoblastic leukemia and cutaneous T-cell lymphoma. Additional preliminary findings support its use for the management of some B-cell malignancies.

Accession Number
DBSALT001997
Structure
Synonyms
Forodesine HCl
UNII
6SN82Y9U73
CAS Number
284490-13-7
Weight
Average: 302.72
Monoisotopic: 302.0781827
Chemical Formula
C11H15ClN4O4
InChI Key
WEIAMZKHBCLFOG-QPAIBFMUSA-N
InChI
InChI=1S/C11H14N4O4.ClH/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19;/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19);1H/t5-,7+,9-,10+;/m1./s1
IUPAC Name
7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one hydrochloride
SMILES
Cl.OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2=O
ChemSpider
9667998
ChEMBL
CHEMBL550755
Predicted Properties
PropertyValueSource
Water Solubility4.11 mg/mLALOGPS
logP-1.8ALOGPS
logP-2.7Chemaxon
logS-1.8ALOGPS
pKa (Strongest Acidic)10.03Chemaxon
pKa (Strongest Basic)7.94Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area129.97 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity66.37 m3·mol-1Chemaxon
Polarizability25.73 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon