Details of the Drug

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

Drug ADMET Endpoint Profile (DAE)^NEW

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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)

MIA Detail

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References

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