Details of the Drug

General Information of Drug (ID: DMQNA7V)

Drug Name

BC11-38

Synonyms

686770-80-9; BC11-38; BC 11-38; C15H16N2OS2; AC1M0MXE; GTPL6559; CHEMBL3928332; SCHEMBL16200740; BDBM86642; AOB1847; SYN5070; MolPort-003-028-365; HMS1650C11; ZINC2459456; CCG-26916; AKOS024458190; MCULE-6438827024; AS-16436; KB-270820; B7673; EU-0088935; SR-01000093012; SR-01000093012-1; F0579-0060; 3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one; 3-phenyl-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one; 6,7-Dihydro-3-phenyl-2-(propylthio)thieno[3,2-d]pyrimidin-4(3H)one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

304.4

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H16N2OS2
IUPAC Name: 3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Canonical SMILES: CCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SCC2
InChI: InChI=1S/C15H16N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey: YHNDCCKFNWDQGW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2052828
TTD ID: D03QTH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 11A (PDE11A)	TTTWC79	PDE11_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction 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: 6559).
2	Identification of biologically active PDE11-selective inhibitors using a yeast-based high-throughput screen. Chem Biol. 2012 Jan 27;19(1):155-63.