General Information of Drug (ID: DMJC82N)

Drug Name
UR-8225
Synonyms
UR 8225; 149455-36-7; UR-8225; 5,6-Dihydro-6,6-dimethyl-5-oxo-8-(2-oxo-1(2H)-pyridinyl)-2-naphthalenecarbonitrile; 1,2-Dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethyl-1-oxonaphthalene-6-carbonitrile; 2-Naphthalenecarbonitrile, 5,6-dihydro-6,6-dimethyl-5-oxo-8-(2-oxo-1(2H)-pyridinyl)-; 2-Naphthalenecarbonitrile,5,6-dihydro-6,6-dimethyl-5-oxo-8-(2-oxo-1(2H)-pyridinyl)-; ACMC-20n5pl; AC1L560X; SCHEMBL6369766; CHEMBL303682; CTK4C6217; DTXSID60164273; LS-94452
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 290.3
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H14N2O2
IUPAC Name
6,6-dimethyl-5-oxo-8-(2-oxopyridin-1-yl)naphthalene-2-carbonitrile
Canonical SMILES
CC1(C=C(C2=C(C1=O)C=CC(=C2)C#N)N3C=CC=CC3=O)C
InChI
InChI=1S/C18H14N2O2/c1-18(2)10-15(20-8-4-3-5-16(20)21)14-9-12(11-19)6-7-13(14)17(18)22/h3-10H,1-2H3
InChIKey
PJCGOKFHROWGBX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
198778
CAS Number
149455-36-7
TTD ID
D0B7ND
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Potassium channel unspecific (KC) TT1VOHK NOUNIPROTAC Opener [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 800002580)
2 Effects of the novel potassium channel opener, UR-8225, on contractile responses in rat isolated smooth muscle. Br J Pharmacol. 1993 Nov;110(3):1165-71.