Bioactive Compound Details

BioIDbio200170
Name2-(DIPHOSPHONOMETHYLAMINO)NICOTINIC ACID
ChEMBL IDCHEMBL2251375
Molecular FormulaC7H10N2O8P2
Molecular Weight312.11
Molecular Weight (Monoisotopic)311.9912
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesO=C(O)c1cccnc1NC(P(=O)(O)O)P(=O)(O)O
InchiInChI=1S/C7H10N2O8P2/c10-6(11)4-2-1-3-8-5(4)9-7(18(12,13)14)19(15,16)17/h1-3,7H,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17)
Inchi KeyYXHVQDSUEOEDIU-UHFFFAOYSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities8.0
Np Likeness Score-0.41
Records Key['24', 'BP13']
Records Name['2-(diphosphonomethylamino)nicotinic acid', '2-(diphosphonomethylamino)nicotinic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure