Bioactive Compound Details

BioIDbio199102
NameNone
ChEMBL IDCHEMBL223737
Molecular FormulaC8H12N5O5P
Molecular Weight289.19
Molecular Weight (Monoisotopic)289.0576
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms9-(2-Phosphonylmethoxyethyl)Guanine|9-[2-(Phosphonomethoxy)Ethyl]Guanine|9-[3-(Phosphonomethoxy)Ethyl]Guanine
SmilesNc1nc2c(ncn2CCOCP(=O)(O)O)c(=O)[nH]1
InchiInChI=1S/C8H12N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
Inchi KeyNZVORGQIEFTOQZ-UHFFFAOYSA-N
Molecular SpeciesACID
Targets25.0
Bioactivities88.0
Np Likeness Score-0.43
Records Key['PMEG', '3', '1', '1', '27', '1 (PMEG)', '1', '3d', '5 (PMEG)', '33', 'PMEG(4)', '10', '9-(2-phosphonylmethoxyethyl)guanine', 'PMEG', 'PMEG', '1; PMEG', '[14C]-1']
Records Name['[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-ethoxymethyl]-phosphonic acid', '[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-ethoxymethyl]-phosphonic acid', '[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-ethoxymethyl]-phosphonic acid', '[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-ethoxymethyl]-phosphonic acid (PMEG)', '[2-(2-Amino-6-hydroxy-purin-9-yl)-ethoxymethyl]-phosphonic acid', '[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-ethoxymethyl]-phosphonic acid', '9-[3-(Phosphonomethoxy)ethyl]guanine (PMEG)', '9-[2-(Phosphonomethoxy)ethyl]guanine', '[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-ethoxymethyl]-phosphonic acid (PMEG)', '[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-ethoxymethyl]-phosphonic acid', '[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-ethoxymethyl]-phosphonic acid', '(2-(2-amino-6-oxo-1,6-dihydropurin-9-yl)ethoxy)methylphosphonic acid', '9-(2-phosphonylmethoxyethyl)guanine', '9-(2-phosphonylmethoxyethyl)guanine', '(2-(2-amino-6-oxo-1H-purin-9(6H)-yl)ethoxy)methylphosphonic acid', '9-[(2-phosphonomethoxy)ethyl]guanine', '[14C]-(2-(2-amino-6-oxo-1H-purin-9(6H)-yl)ethoxy)methylphosphonic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure