Details of the Drug

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]
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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

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]

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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 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.