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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.