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]
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
PubChem CID
15298297
CAS Number
141725-10-2
TTD ID
D05DON

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression 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 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.