Details of the Drug

General Information of Drug (ID: DMAM9BD)

Drug Name
SL65.0155
Synonyms
capeserod; 769901-96-4; 5-(8-Amino-7-chloro-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-3-(1-phenethylpiperidin-4-yl)-1,3,4-oxadiazol-2(3H)-one; SL65.0155; UNII-8163770L8P; 8163770L8P; 5-(8-AMINO-7-CHLORO-2,3-DIHYDRO-1,4-BENZODIOXIN-5-YL)-3-[1-(2-PHENYLETHYL)PIPERIDIN-4-YL]-1,3,4-OXADIAZOL-2(3H)-ONE; Capeserod [INN]; GTPL29; SCHEMBL4707724; CHEMBL2027925; BDBM86038; ZINC603773; PDSP2_001247; PDSP1_001263; 2009AC; AKOS016011606; SL650155; AJ-23687; DB-030409; KB-243722; FT-0735661
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 456.9
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C23H25ClN4O4
IUPAC Name
5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-one
Canonical SMILES
C1CN(CCC1N2C(=O)OC(=N2)C3=CC(=C(C4=C3OCCO4)N)Cl)CCC5=CC=CC=C5
InChI
InChI=1S/C23H25ClN4O4/c24-18-14-17(20-21(19(18)25)31-13-12-30-20)22-26-28(23(29)32-22)16-7-10-27(11-8-16)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13,25H2
InChIKey
MDBNTXARNGRHEV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9805719
CAS Number
769901-96-4
TTD ID
D09ZQX
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 4 receptor (HTR4) TT07C3Y 5HT4R_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Parkinson disease
ICD Disease Classification 8A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 4 receptor (HTR4) DTT HTR4 6.16E-01 -0.03 -0.24
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 29).
2 SL65.0155, a novel 5-hydroxytryptamine(4) receptor partial agonist with potent cognition-enhancing properties. J Pharmacol Exp Ther. 2002 Aug;302(2):731-41.