Details of the Drug

General Information of Drug (ID: DMXCN37)

Drug Name
DS-1040
Indication
Disease Entry ICD 11 Status REF
Ischemic stroke 8B11.5Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 265.69
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H12ClNO3
IUPAC Name
2-chloro-3-(2-methoxyethylamino)naphthalene-1,4-dione
Canonical SMILES
COCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
InChI
InChI=1S/C13H12ClNO3/c1-18-7-6-15-11-10(14)12(16)8-4-2-3-5-9(8)13(11)17/h2-5,15H,6-7H2,1H3
InChIKey
IAPJSKHYZZLKBU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
260178
CAS Number
22272-22-6
TTD ID
D06RHC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carboxypeptidase B2 (CPB2) TTP18AY CBPB2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02071004) DS1040b/Aspirin Drug/Drug Interaction Study. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of Daiichi Sankyo.