Details of the Drug

General Information of Drug (ID: DMXERCA)

Drug Name

MS-377

Synonyms

MS-377; SCHEMBL466934; DKVVPXLIRYCKCS-OAHLLOKOSA-N; AKOS003589066; (R)-1-(4-chlorophenyl)-3-(4-(2-methoxyethyl)piperazin-1-yl)methyl-2-pyrrolidinone; (r)-(+)-1-(4-chlorophenyl)-3-[4-(2-methoxyethyl)piperazin-1-yl]methyl-2-pyrrolidinone

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Terminated	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

351.9

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H26ClN3O2
IUPAC Name: (3R)-1-(4-chlorophenyl)-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrrolidin-2-one
Canonical SMILES: COCCN1CCN(CC1)C[C@H]2CCN(C2=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H26ClN3O2/c1-24-13-12-20-8-10-21(11-9-20)14-15-6-7-22(18(15)23)17-4-2-16(19)3-5-17/h2-5,15H,6-14H2,1H3/t15-/m1/s1
InChIKey: DKVVPXLIRYCKCS-OAHLLOKOSA-N