Bioactive Compound Details

BioIDbio197310
NameNone
ChEMBL IDCHEMBL285819
Molecular FormulaC10H12ClN5O4
Molecular Weight301.69
Molecular Weight (Monoisotopic)301.0578
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Chloroadenosine
SmilesNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InchiInChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
Inchi KeyBIXYYZIIJIXVFW-UUOKFMHZSA-N
Molecular SpeciesNEUTRAL
Targets81.0
Bioactivities192.0
Np Likeness Score1.02
Records Key['2-chloroadenosine', '22', '3', '1', '2-Cl-Ado', '2', '2-Chloro-adenosine', '2-CADO', '2-chloro adenosine', '1b', '2-CADO', '91', '13', '2-Chloroadenosine', 'SID50103933', '28, 2Cl-Ado', 'CADO', '19', '2-Cl-Ado', '2-Cl-adenosine', 'SID90341035', '2-Chloroadenosine', 'NCGC00093744-01', '100', '2a', '2-chloroadenosine', '2-chloroadenosine', '7', '3a', '2-Chloro-adenosine', 'Page 487', '2-Chloro-adenosine', '2, 2-Cl-Ado', 'SID26751454', 'SID56463001', '5', '6', '2-CHLOROADENOSINE', '2-chloroadenosine', 'SID855580', '16', '2-Cl-adenosine', '2-chloroadenosine', '2-chloroadenosine', '2', 'SAM001246886', '2-chloroadenosine']
Records Name['2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '5-(6-Amino-2-chloro-purin-9-yl)-tetrahydro-furan-2,3,4-triol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '(2-CADO) 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol (2-CADO)', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-Chloroadenosine', 'SID50103933', '(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol', '2-chloroadenosine', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '(2R,3S,5R)-2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol', 'SID90341035', '2-Chloroadenosine', '2-Chloroadenosine', '2-chloroadenosine', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-chloroadenosine', '2-chloroadenosine', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol (2-chloroadenosine)', '2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-chloroadenosine', 'SID26751454', 'SID56463001', '(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol', '6-Amino-2-chloro-9-(beta-D-ribofuranosyl)-9H-purine', '2-CHLOROADENOSINE', '2-chloroadenosine', 'SID855580', '(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol', '2-Chloro-adenosine', '2-chloroadenosine', '2-chloroadenosine', '(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol', 'C0164966', '2-chloroadenosine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure