General Information of Drug (ID: DM1EOC3)

Drug Name
Elzasonan hydrochloride
Synonyms
Elzasonan HCl; CP 448187-01; Elzasonan hydrochloride (USAN); (2E)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one hydrochloride; (2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one hydrochloride
Indication
Disease Entry ICD 11 Status REF
Mood disorder 6A60-6E23 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 484.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C22H24Cl3N3OS
IUPAC Name
(2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one;hydrochloride
Canonical SMILES
CN1CCN(CC1)C2=CC=CC=C2/C=C\\3/C(=O)N(CCS3)C4=CC(=C(C=C4)Cl)Cl.Cl
InChI
InChI=1S/C22H23Cl2N3OS.ClH/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17;/h2-7,14-15H,8-13H2,1H3;1H/b21-14-;
InChIKey
NMTRXBJYASHMND-UXTSPRGOSA-N
Cross-matching ID
PubChem CID
6506051
CAS Number
220322-05-4
TTD ID
D03SFN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Modulator [2]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.
2 DOI: 10.1002/9781118541203.xen439