Details of the Drug

General Information of Drug (ID: DMNX0JH)

Drug Name
N-0861
Synonyms WRC-0006; WRC-0007
Indication
Disease Entry ICD 11 Status REF
Cardiac disease BA00-BE2Z Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 243.31
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H17N5
IUPAC Name
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine
Canonical SMILES
CN1C=NC2=C(N=CN=C21)N[C@@H]3C[C@@H]4CC[C@H]3C4
InChI
InChI=1S/C13H17N5/c1-18-7-16-11-12(14-6-15-13(11)18)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,14,15,17)/t8-,9+,10-/m1/s1
InChIKey
MTQYIGCUBBMQCJ-KXUCPTDWSA-N
Cross-matching ID
PubChem CID
126615
CAS Number
141696-90-4
TTD ID
D07VZV

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 800003285)
2 N-0861 selectively antagonizes adenosine A1 receptors in vivo. Eur J Pharmacol. 1992 May 27;216(1):9-16.