Details of the Drug

General Information of Drug (ID: DMECHD0)

Drug Name
2-Amino-6-(indan-5-ylamino)-3H-pyrimidin-4-one
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 242.28
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H14N4O
IUPAC Name
2-amino-4-(2,3-dihydro-1H-inden-5-ylamino)-1H-pyrimidin-6-one
Canonical SMILES
C1CC2=C(C1)C=C(C=C2)NC3=CC(=O)NC(=N3)N
InChI
InChI=1S/C13H14N4O/c14-13-16-11(7-12(18)17-13)15-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H4,14,15,16,17,18)
InChIKey
YUPQFUXJUXRXOG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
136044111
TTD ID
D0G2RY

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibitors of Bacillus subtilis DNA polymerase III. Influence of modifications in the pyrimidine ring of anilino- and (benzylamino)pyrimidines. J Med Chem. 1986 May;29(5):676-81.