Details of the Drug

General Information of Drug (ID: DME53YS)

• Drug Name: Sotrastaurin acetate
• Synonyms: Sotrastaurin acetate; UNII-R1SIA15KZ1; 908351-31-5; R1SIA15KZ1; Sotrastaurin acetate [USAN]; AEB 071; Sotrastaurin acetate (USAN); SCHEMBL3846239; CHEMBL2105655; KB-74525; D09718; 3-(1H-Indol-3-yl)-4-(2-(4-methylpiperazin-1-yl)quinazolin-4-yl)-1H-pyrrole-2,5-dione acetate; 1H-Pyrrole-2,5-dione, 3-(1H-indol-3-yl)-4-(2-(4-methyl-1-piperazinyl)-4-quinazolinyl)-, acetate

Indication

Disease Entry	ICD 11	Status	REF
Renal transplantation	NE84	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 498.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 8
• Chemical Identifiers:
  Formula: C27H26N6O4
  IUPAC Name: acetic acid;3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
  Canonical SMILES: CC(=O)O.CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65
  InChI: InChI=1S/C25H22N6O2.C2H4O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18;1-2(3)4/h2-9,14,26H,10-13H2,1H3,(H,29,32,33);1H3,(H,3,4)
  InChIKey: RVEUYBMXVVDLFO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24779745
  CAS Number: 908351-31-5
  TTD ID: D0F5HB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein kinase C alpha (PRKCA)	TTFJ8Q1	KPCA_HUMAN	Inhibitor	[1]
Protein kinase C beta (PRKCB)	TTYPXQF	KPCB_HUMAN	Inhibitor	[1]
Protein kinase C theta (PRKCQ)	TT8QL1J	KPCT_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Renal transplantation
• ICD Disease Classification: NE84

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Protein kinase C theta (PRKCQ)	DTT	PRKCQ	6.55E-09	0.05	0.16

References

• [1] Emerging drugs for psoriasis. Expert Opin Emerg Drugs. 2009 Mar;14(1):145-63.