Details of the Drug

General Information of Drug (ID: DMHAVYS)

• Drug Name: Y-9680
• Synonyms: isopropyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate; 350997-33-0; ISOPROPYL 2-AMINO-4-(3,4-DIMETHOXYPHENYL)-THIOPHENE-3-CARBOXYLATE; propan-2-yl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate; AC1LI5BZ; CBMicro_031058; MixCom6_001362; Oprea1_764229; SCHEMBL12632700; CHEMBL2393423; CTK6J7310; US8889672, PKCzI-diMeO; ZINC442750; BDBM139464; ZX-AN001734; ALBB-001750; MFCD01923453; STK348738; BBL016154; AKOS000304253; MCULE-6167327602; BIM-0031131.P001; TR-051961; Y-9680; SR-01000228616; SR-01000228616-1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 321.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C16H19NO4S
  IUPAC Name: propan-2-yl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
  Canonical SMILES: CC(C)OC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)N
  InChI: InChI=1S/C16H19NO4S/c1-9(2)21-16(18)14-11(8-22-15(14)17)10-5-6-12(19-3)13(7-10)20-4/h5-9H,17H2,1-4H3
  InChIKey: WEHPOCNINSGWET-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 874670
  TTD ID: D0CV8T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein kinase C zeta (PRKCZ)	TTUWGRA	KPCZ_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Protein kinase C zeta (PRKCZ)	DTT	PRKCZ	5.78E-42	0.75	0.9

References

• [1] Compounds, formulations, and methods of protein kinase C inhibition. US8889672.