General Information of Drug (ID: DMEW5LD)

Drug Name
AC1M1SP5
Synonyms
3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one; 850915-31-0; AC1M1SP5; SCHEMBL16200721; CHEMBL3913943; BDBM86646; ZINC2719834; AKOS024584906; MCULE-4663000139; BC11-38-4; SR-01000120201; SR-01000120201-1; F0579-0260; 3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.5
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H18N2O2S2
IUPAC Name
3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Canonical SMILES
CCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)SCC2
InChI
InChI=1S/C16H18N2O2S2/c1-3-9-22-16-17-11-8-10-21-14(11)15(19)18(16)12-6-4-5-7-13(12)20-2/h4-7H,3,8-10H2,1-2H3
InChIKey
MXDVDZKXHJWBLR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2155273
TTD ID
D0Z7YQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 8 (PDE8) TTIS4OW PDE8A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibitors of phosphodiesterase 11 (PDE11). US9173884.