Bioactive Compound Details

BioIDbio199543
NameNone
ChEMBL IDCHEMBL285627
Molecular FormulaC10H10N6OS
Molecular Weight262.3
Molecular Weight (Monoisotopic)262.0637
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsPD-119229-2
SmilesNc1nc(O)c2nc(N)n(Cc3cccs3)c2n1
InchiInChI=1S/C10H10N6OS/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
Inchi KeyHANOSGYMKMNFON-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities18.0
Np Likeness Score-1.71
Records Key['1c', '1, (PD-119229-2)', '018', '2', 'ATG', 'PD119229']
Records Name['2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-purin-6-one', '2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-purin-6-one', '2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-purin-6-one', '2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-purin-6-one', '2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-purin-6-one', '2,8-diamino-9-(thiophen-2-ylmethyl)-1H-purin-6(9H)-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure