Details of the Drug

General Information of Drug (ID: DM9XBL4)

• Drug Name: Tricyclic heterocycle derivative 4
• Synonyms: PMID26077642-Compound-Figure3D
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 259.37
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H17N3S
  IUPAC Name: N-cyclopropyl-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
  Canonical SMILES: CN(C1CC1)C2=C3C4=C(CCCC4)SC3=NC=N2
  InChI: InChI=1S/C14H17N3S/c1-17(9-6-7-9)13-12-10-4-2-3-5-11(10)18-14(12)16-8-15-13/h8-9H,2-7H2,1H3
  InChIKey: PGGINYVNLNKQRD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56644389
  TTD ID: D09CIC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ubiquitin carboxyl-terminal hydrolase 14 (USP14)	TTVSYP9	UBP14_HUMAN	Inhibitor	[1]

References

• [1] Deubiquitinases (DUBs) and DUB inhibitors: a patent review.Expert Opin Ther Pat. 2015;25(10):1191-1208.