Details of the Drug

General Information of Drug (ID: DMZ34P1)

• Drug Name: CGP-62464
• Synonyms: CGP-62464; CHEMBL169757; 5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine; NSC606429; AC1Q4VCQ; 5,7-diphenyl-4-aminopyrrolo[2,3-d]pyrimidine; AC1L74EC; SCHEMBL5936176; ZINC1609260; BDBM50088900; NSC-606429; 121405-24-1; FT-0761196; 5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine; 5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidine-4-amine

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
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H14N4
  IUPAC Name: 5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
  Canonical SMILES: C1=CC=C(C=C1)C2=CN(C3=NC=NC(=C23)N)C4=CC=CC=C4
  InChI: InChI=1S/C18H14N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H,(H2,19,20,21)
  InChIKey: AFVGAHBUCVDPPI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 354471
  TTD ID: D0BU6T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proto-oncogene c-Src (SRC)	TT6PKBN	SRC_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
Proto-oncogene c-Src (SRC)	DTT	SRC	6.45E-01	-0.08	-0.58
Proto-oncogene c-Src (SRC)	DTT	SRC	2.08E-03	-0.52	-1.62

References

• [1] Substituted 5,7-diphenyl-pyrrolo[2,3d]pyrimidines: potent inhibitors of the tyrosine kinase c-Src. Bioorg Med Chem Lett. 2000 May 1;10(9):945-9.