Details of the Drug

General Information of Drug (ID: DMPETL7)

Drug Name
SLV-314
Synonyms
Lensiprazine; 327026-93-7; SLV-314; UNII-N47MW76OGX; N47MW76OGX; CHEMBL196514; Lensiprazine [INN]; DTXSID60186379; ZINC11689014; BDBM50176019; API0013978; ACM327026937; 026L937; (R)-8-{4-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-piperazin-1-yl}-2-methyl-4H-benzo[1,4]oxazin-3-one; (R)-8-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperazin-1-yl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 422.5
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C24H27FN4O2
IUPAC Name
(2R)-8-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-2-methyl-4H-1,4-benzoxazin-3-one
Canonical SMILES
C[C@@H]1C(=O)NC2=C(O1)C(=CC=C2)N3CCN(CC3)CCCC4=CNC5=C4C=C(C=C5)F
InChI
InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1
InChIKey
SDAMYSWGWHXMRT-MRXNPFEDSA-N
Cross-matching ID
PubChem CID
9954003
ChEBI ID
CHEMBL196514
CAS Number
327026-93-7
TTD ID
D0G8CV
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis, structure-activity relationships, and biological properties of 1-heteroaryl-4-[omega-(1H-indol-3-yl)alkyl]piperazines, novel potential a... J Med Chem. 2005 Nov 3;48(22):6855-69.