Details of the Drug

General Information of Drug (ID: DMR0TYK)

Drug Name
Fosdenopterin
Synonyms CPMP; CPMP (molybdenum cofactor deficiency), Alexion; CPMP (molybdenum cofactor deficiency), Orphatec
Indication
Disease Entry ICD 11 Status REF
Molybdenum cofactor deficiency 5B5K.A Approved [1]
Encephalopathy 8E47 Phase 2 [2]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 363.22
Logarithm of the Partition Coefficient (xlogp) -4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 11
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 5960 mcgh/L [3]
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 2800 mcg/L [3]
Clearance
The total body clearance of drug is 167-195 mL/h/kg [3]
Elimination
Approximately 40% of drug is eliminated via renal clearance [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.2 - 1.7 hours [3]
Metabolism
The drug is metabolized via the non-enzymatic degradation into Compound Z [3]
Vd
The volume of distribution (Vd) of drug is 0.3 L/kg [3]
Chemical Identifiers
Formula
C10H14N5O8P
IUPAC Name
(1R,10R,12S,17R)-5-amino-11,11,14-trihydroxy-14-oxo-13,15,18-trioxa-2,4,6,9-tetraza-14lambda5-phosphatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-dien-7-one
Canonical SMILES
C1[C@@H]2[C@@H](C([C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)(O)O)OP(=O)(O1)O
InChI
InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1
InChIKey
CZAKJJUNKNPTTO-AJFJRRQVSA-N
Cross-matching ID
PubChem CID
135463437
ChEBI ID
CHEBI:60210
CAS Number
150829-29-1
DrugBank ID
DB16628
TTD ID
D07GTW
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
Xanthine dehydrogenase/oxidase (XDH) TT7RJY8 XDH_HUMAN Cofactor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
2 ClinicalTrials.gov (NCT02047461) Safety & Efficacy Study of ALXN1101 in Pediatric Patients With MoCD Type A Currently Treated With rcPMP. U.S. National Institutes of Health.
3 FDA Approved Drug Products: Nulibry (fosdenopterin) for intravenous injection