Details of the Drug

General Information of Drug (ID: DMSH107)

• Drug Name: 6-(Indan-5-ylamino)-1H-pyrimidine-2,4-dione
• Synonyms: CHEMBL54950; 64054-69-9; 6-(Indan-5-ylamino)-1H-pyrimidine-2,4-dione; 6-[(5-Indanyl)amino]uracil; SCHEMBL3971654; CTK2A7431; DTXSID80591769; BDBM50022163; ZINC13798089; 6-[(3,4-trimethylene)anilino]uracil; 2,4(1H,3H)-Pyrimidinedione, 6-[(2,3-dihydro-1H-inden-5-yl)amino]-

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); 243.26
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H13N3O2
  IUPAC Name: 6-(2,3-dihydro-1H-inden-5-ylamino)-1H-pyrimidine-2,4-dione
  Canonical SMILES: C1CC2=C(C1)C=C(C=C2)NC3=CC(=O)NC(=O)N3
  InChI: InChI=1S/C13H13N3O2/c17-12-7-11(15-13(18)16-12)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18)
  InChIKey: CVUMGFDAIXWWCV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 17960612
  CAS Number: 64054-69-9
  TTD ID: D0C1VA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase (TOP)	TT2GPK3	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Inhibitors of Bacillus subtilis DNA polymerase III. 6-Anilinouracils and 6-(alkylamino)uracils. J Med Chem. 1980 Jan;23(1):34-8.