Details of the Drug

General Information of Drug (ID: DM2X5R6)

Drug Name
TERIKALANT
Synonyms
Terikalant; Terikalant [INN]; UNII-G8ZMP77RGJ; Terikalantum [INN-Latin]; G8ZMP77RGJ; RP-58866; CHEMBL96153; Terikalant (INN); RP62719; 121277-96-1; C24H31NO3; Terikalantum; (-)-(S)-1-(2-(4-Chromanyl)ethyl)-4-(3,4-dimethoxyphenyl)piperidine; RP-62719; (-)-(s)-1-[2-(4-chromanyl)ethyl]-4-(3,4-dimethoxyphenyl)piperidine; AC1L24AK; SCHEMBL1815992; AC1Q5768; BDBM50131442; RP 62719; 132338-79-5; RP 58866; LS-172487; D09757; (S)-1-(2-(chroman-4-yl)ethyl)-4-(3,4-dimethoxyphenyl)piperidine
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): 0 Molecular Weight (mw) 381.5
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H31NO3
IUPAC Name
1-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]ethyl]-4-(3,4-dimethoxyphenyl)piperidine
Canonical SMILES
COC1=C(C=C(C=C1)C2CCN(CC2)CC[C@H]3CCOC4=CC=CC=C34)OC
InChI
InChI=1S/C24H31NO3/c1-26-23-8-7-20(17-24(23)27-2)18-9-13-25(14-10-18)15-11-19-12-16-28-22-6-4-3-5-21(19)22/h3-8,17-19H,9-16H2,1-2H3/t19-/m0/s1
InChIKey
UIZPEXQHMIZQPQ-IBGZPJMESA-N
Cross-matching ID
PubChem CID
65941
ChEBI ID
CHEMBL96153
CAS Number
121277-96-1
TTD ID
D0E6OA
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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 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 800001820)
2 Terikalant, an inward-rectifier potassium channel blocker, does not abolish the cardioprotection induced by ischemic preconditioning in the rat. J Mol Cell Cardiol. 1998 Sep;30(9):1817-25.