Pafuramidine maleateProduct ingredient for Pafuramidine

Name
Pafuramidine maleate
Drug Entry
Pafuramidine

Pafuramidine, a prodrug of furamidine, currently has orphan status for Pneumocystis jiroveci pneumonia.

Accession Number
DBSALT002024
Structure
Synonyms
Pafuramidine maleate
External IDs
DB-289 / DB289
UNII
K27F04K3A9
CAS Number
837369-26-3
Weight
Average: 480.477
Monoisotopic: 480.164499129
Chemical Formula
C24H24N4O7
InChI Key
SWMNGXODFOCPKQ-BTJKTKAUSA-N
InChI
InChI=1S/C20H20N4O3.C4H4O4/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2;5-3(6)1-2-4(7)8/h3-12H,1-2H3,(H2,21,23)(H2,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1-
IUPAC Name
(2Z)-but-2-enedioic acid; N-methoxy-4-{5-[4-(N-methoxycarbamimidoyl)phenyl]furan-2-yl}benzene-1-carboximidamide
SMILES
OC(=O)\C=C/C(O)=O.CONC(=N)C1=CC=C(C=C1)C1=CC=C(O1)C1=CC=C(C=C1)C(=N)NOC
ChemSpider
9866222
ChEMBL
CHEMBL2107359
PharmGKB
PA166122486
Wikipedia
Pafuramidine
Predicted Properties
PropertyValueSource
Water Solubility0.0663 mg/mLALOGPS
logP2.65ALOGPS
logP2.97Chemaxon
logS-3.7ALOGPS
pKa (Strongest Basic)8.83Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area103.36 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity145.42 m3·mol-1Chemaxon
Polarizability40.58 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon