Details of the Drug

General Information of Drug (ID: DM753RT)

Drug Name
CVT-124
Synonyms Adentri; Naxifylline; ENX cpd; BG 9719; BG9719; CVT 124; BG-9719; 1,3-ENX; 1,3-dipropyl-8-(2-(5,6-epoxy)norbornyl)xanthine; 8-((2S,5,6-Exo)-5,6-epoxy-2-norbonyl)-1,3-dipropylxanthine
Indication
Disease Entry ICD 11 Status REF
Autoimmune diabetes 5A10 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 344.4
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H24N4O3
IUPAC Name
8-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]-1,3-dipropyl-7H-purine-2,6-dione
Canonical SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)[C@H]3C[C@H]4C[C@@H]3[C@H]5[C@@H]4O5
InChI
InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)/t9-,10+,11+,13-,14+/m1/s1
InChIKey
OQCJPFYWFGUHIN-GJKBLCTNSA-N
Cross-matching ID
PubChem CID
9841075
CAS Number
166374-49-8
UNII
B3G45WC37L
DrugBank ID
DB06471
TTD ID
D09GGJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800015498)
2 CV Therapeutics. Company report from CV Therapeutics, Inc. CV Therapeutics. 2009.