Details of the Drug

General Information of Drug (ID: DM74BK8)

Drug Name

KT-362

Synonyms

3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-thia-6-azabicyclo[5.4.0]undeca-7,9,11-trien-6-yl)propan-1-one; ACMC-20m87t

Indication

Disease Entry	ICD 11	Status	REF
Heart arrhythmia	BC65	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

516.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

10

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C26H32N2O7S
IUPAC Name: (E)-but-2-enedioic acid;1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
Canonical SMILES: COC1=C(C=C(C=C1)CCNCCC(=O)N2CCCSC3=CC=CC=C32)OC.C(=C/C(=O)O)\\C(=O)O
InChI: InChI=1S/C22H28N2O3S.C4H4O4/c1-26-19-9-8-17(16-20(19)27-2)10-12-23-13-11-22(25)24-14-5-15-28-21-7-4-3-6-18(21)24;5-3(6)1-2-4(7)8/h3-4,6-9,16,23H,5,10-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey: YIVXAQUBENUHJC-WLHGVMLRSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[2]

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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 800000337)
2	Comparative cardiac effects of KT-362 and verapamil in isolated heart--correlation to calcium channel current depression. J Cardiovasc Pharmacol. 1991 Oct;18(4):594-604.