Details of the Drug

General Information of Drug (ID: DMKXRJ4)

• Drug Name: US8889696, 39
• Synonyms: CHEMBL3702566; SCHEMBL13385799; BDBM139539; US8889696, 39
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 417.5
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C22H16FN5OS
  IUPAC Name: 6-(4-fluorophenyl)sulfanyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
  Canonical SMILES: CN1C2=NC(=NC=C2C=C(C1=O)SC3=CC=C(C=C3)F)NC4=CC5=C(C=C4)NC=C5
  InChI: InChI=1S/C22H16FN5OS/c1-28-20-14(11-19(21(28)29)30-17-5-2-15(23)3-6-17)12-25-22(27-20)26-16-4-7-18-13(10-16)8-9-24-18/h2-12,24H,1H3,(H,25,26,27)
  InChIKey: FJECSOOLAWUZAB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 70895719
  TTD ID: D0T2KT

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] Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof. US8889696.