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]
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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
CAS Number: 121277-96-1
TTD ID: D0E6OA

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]

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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 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.