Details of the Drug

General Information of Drug (ID: DM27YTF)

• Drug Name: 2-(p-toluidino)-4-phenylpyrimidine-5-carbonitrile
• Synonyms: CHEMBL233874; 2-(p-toluidino)-4-phenylpyrimidine-5-carbonitrile

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 286.3
  Topological Polar Surface Area (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H14N4
  IUPAC Name: 2-(4-methylanilino)-4-phenylpyrimidine-5-carbonitrile
  Canonical SMILES: CC1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N
  InChI: InChI=1S/C18H14N4/c1-13-7-9-16(10-8-13)21-18-20-12-15(11-19)17(22-18)14-5-3-2-4-6-14/h2-10,12H,1H3,(H,20,21,22)
  InChIKey: OBWJJSHWDHTFAP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44430881
  TTD ID: D0E9DI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 1 (CDK1)	TTH6V3D	CDK1_HUMAN	Inhibitor	[1]
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Vascular endothelial growth factor receptor 2 (KDR)	DTT	KDR	1.98E-01	0.11	0.2

References

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• [16] Clinical pipeline report, company report or official report of Exelixis (2011).
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• [18] Emerging drugs for ovarian cancer. Expert Opin Emerg Drugs. 2008 Sep;13(3):523-36.