Details of the Drug

General Information of Drug (ID: DM1I25F)

• Drug Name: 8-Pyridin-4-yl-9H-purine-2,6-diamine
• Synonyms: CHEMBL317618; 8-Pyridin-4-yl-9H-purine-2,6-diamine; 9H-Purine-2,6-diamine, 8-(4-pyridinyl)-; AC1L9X4Y; BDBM50059928; 2,6-Diamino-8-(4'-pyridinyl)purine; 8-pyridin-4-yl-7H-purine-2,6-diamine; 8-(4-pyridyl)-9H-purine-2,6-diamine; 194613-23-5

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); 227.23
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C10H9N7
  IUPAC Name: 8-pyridin-4-yl-7H-purine-2,6-diamine
  Canonical SMILES: C1=CN=CC=C1C2=NC3=NC(=NC(=C3N2)N)N
  InChI: InChI=1S/C10H9N7/c11-7-6-9(17-10(12)15-7)16-8(14-6)5-1-3-13-4-2-5/h1-4H,(H5,11,12,14,15,16,17)
  InChIKey: FRFATUHEQSVWHE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 457739
  TTD ID: D0B9MY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polypeptide deformylase (PDF)	TT9SL3Q	DEFM_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
Polypeptide deformylase (PDF)	DTT	PDF	8.87E-16	-0.54	-0.86

References

• [1] Conformationally restricted analogues of trimethoprim: 2,6-diamino-8-substituted purines as potential dihydrofolate reductase inhibitors from Pneum... J Med Chem. 1997 Sep 12;40(19):3032-9.