Bioactive Compound Details

BioIDbio3371
NamePOCENBRODIB
ChEMBL IDCHEMBL5314476
Molecular FormulaC28H32FN3O6
Molecular Weight525.58
Molecular Weight (Monoisotopic)525.2275
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsPOCENBRODIB
SmilesCOC(=O)N1c2ccc3c(nc([C@H](O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C
InchiInChI=1S/C28H32FN3O6/c1-15-7-9-19-21(31(15)28(36)38-3)10-11-22-24(19)30-26(25(33)20-14-17(29)8-12-23(20)37-2)32(22)18-6-4-5-16(13-18)27(34)35/h8,10-12,14-16,18,25,33H,4-7,9,13H2,1-3H3,(H,34,35)/t15-,16+,18+,25+/m0/s1
Inchi KeyNOUKMOKAEKAWKS-FSEQIFNCSA-N
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score-0.42
Records Key['POCENBRODIB']
Records Name['POCENBRODIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure