Details of the Drug

General Information of Drug (ID: DMJLNUD)

Drug Name

MILACAINIDE TARTRATE

Synonyms

(R)-RO-22-9194.tartrate; 2(R)-Amino-N-(2,6-dimethylphenyl)-N-[3-(3-pyridyl)propyl]propionamide D-tartrate

Indication

Disease Entry	ICD 11	Status	REF
Cardiac arrhythmias	BC9Z	Discontinued in Phase 2	[1]
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Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

461.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

9

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C23H31N3O7
IUPAC Name: (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2S,3S)-2,3-dihydroxybutanedioic acid
Canonical SMILES: CC1=C(C(=CC=C1)C)N(CCCC2=CN=CC=C2)C(=O)[C@@H](C)N.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C19H25N3O.C4H6O6/c1-14-7-4-8-15(2)18(14)22(19(23)16(3)20)12-6-10-17-9-5-11-21-13-17;5-1(3(7)8)2(6)4(9)10/h4-5,7-9,11,13,16H,6,10,12,20H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m10/s1
InChIKey: UKFWRCBTXJZERY-ZKBHHEPKSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thromboxane-A synthase (TBXAS1)	TTKNWZ4	THAS_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Cardiac arrhythmias

ICD Disease Classification

BC9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Thromboxane-A synthase (TBXAS1)	DTT	TBXAS1	6.56E-01	0.02	0.08

Molecular Expression Atlas (MEA)

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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 800001597)
2	Effects of the new class I antiarrhythmic agent Ro 22-9194, (2R)-2-amino-N-(2,6-dimethylphenyl)-N-[3-(3-pyridyl)propyl]propionamide D-tartrate, on ischemia- and reperfusion-induced arrhythmias in dogs: involvement of thromboxane A2 synthase inhibitory activity. J Pharmacol Exp Ther. 1996 Nov;279(2):877-83.