Bioactive Compound Details

BioIDbio3436
NamePOCIREDIR
ChEMBL IDCHEMBL5204429
Molecular FormulaC22H18FN5O2
Molecular Weight403.42
Molecular Weight (Monoisotopic)403.1445
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsFTX-6058|POCIREDIR
SmilesCc1ncccc1-c1cc2c(n3cnnc13)NCc1c(F)ccc3c1[C@@H](CO3)CO2
InchiInChI=1S/C22H18FN5O2/c1-12-14(3-2-6-24-12)15-7-19-22(28-11-26-27-21(15)28)25-8-16-17(23)4-5-18-20(16)13(9-29-18)10-30-19/h2-7,11,13,25H,8-10H2,1H3/t13-/m0/s1
Inchi KeyJQBUTSBIFNKJMW-ZDUSSCGKSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score-0.6
Records Key['FTX-6058', 'POCIREDIR']
Records Name[(R)-12-fluoro-4-(2-methylpyridin-3-yl)-7a,8,13,14-tetrahydro-7H-[1,2,4]triazolo[4',3':1,6]pyrido[3,2-b]benzofuro[4,3-fg][1,4]oxazonine", 'POCIREDIR']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure