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]
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
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
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Modulator [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 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.