Details of the Drug

General Information of Drug (ID: DM6WN9X)

Drug Name
DS-3801
Indication
Disease Entry ICD 11 Status REF
Constipation DD91.1 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 280.16
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H18BrNO3
IUPAC Name
tert-butyl (2S)-2-(bromomethyl)morpholine-4-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](C1)CBr
InChI
InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey
RLXCSEPIBOWMOJ-MRVPVSSYSA-N
Cross-matching ID
PubChem CID
69388802
CAS Number
919286-71-8
TTD ID
D0T5FU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Motilin receptor (MLNR) TT953CX MTLR_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 Constipation
ICD Disease Classification DD91.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Motilin receptor (MLNR) DTT MLNR 6.35E-02 -0.06 -0.27
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800040749)
2 Clinical pipeline report, company report or official report of Daiichi Sankyo.