Bioactive Compound Details

BioIDbio197936
NameNone
ChEMBL IDCHEMBL395301
Molecular FormulaC14H18N5O8P
Molecular Weight415.3
Molecular Weight (Monoisotopic)415.0893
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2'-O-butyryl-cGMP
SmilesCCCC(=O)O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c(=O)[nH]c(N)nc21
InchiInChI=1S/C14H18N5O8P/c1-2-3-7(20)26-10-9-6(4-24-28(22,23)27-9)25-13(10)19-5-16-8-11(19)17-14(15)18-12(8)21/h5-6,9-10,13H,2-4H2,1H3,(H,22,23)(H3,15,17,18,21)/t6-,9-,10-,13-/m1/s1
Inchi KeyWDVIGZGWJSZZDQ-ZRFIDHNTSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.18
Records Key[5, 2'-O-butyryl-cGMP"]"
Records Name['butyric acid (4aR,6R,7R,7aR)-6-(2-amino-6-oxo-1,6-dihydro-purin-9-yl)-2-hydroxy-2-oxo-tetrahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl ester']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure