Details of the Drug

General Information of Drug (ID: DMO7GWC)

Drug Name

L-702958

Synonyms

L 702958; 136078-58-5; L-702958; 150576-09-3; AC1L50NP; AC1Q3EU4; SCHEMBL9227313; L-702,958; DTXSID60159644; n-{1'-[(2r)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-6-yl}methanesulfonamide hydrochloride(1:1); N-[1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide hydrochloride; Methanesulfonamide, N-(1'-(6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl)-3,4-dihydro-4-oxospiro(2H-1-benzopyran-2,4'-piperidin)-6-yl)-,

Indication

Disease Entry	ICD 11	Status	REF
Cardiac arrhythmias	BC9Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

502

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C25H28ClN3O4S
IUPAC Name: N-[1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
Canonical SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)OC3(CCN(CC3)[C@@H]4CCC5=C(C4)C=CC(=C5)C#N)CC2=O.Cl
InChI: InChI=1S/C25H27N3O4S.ClH/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21;/h2-3,5,7,12,14,21,27H,4,6,8-11,13,15H2,1H3;1H/t21-;/m1./s1
InChIKey: BASAUWFNEPUJDQ-ZMBIFBSDSA-N

Cross-matching ID

PubChem CID: 195821
CAS Number: 136078-58-5
TTD ID: D00YQZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Modulator	[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 800002728)
2	Analogs of MK-499 are differentially affected by a mutation in the S6 domain of the hERG K+ channel.Biochem Pharmacol.2009 May 15;77(10):1602-11.