Bioactive Compound Details

BioIDbio3057
NameTAPENTADOL HYDROCHLORIDE
ChEMBL IDCHEMBL1201777
Molecular FormulaC14H24ClNO
Molecular Weight257.81
Molecular Weight (Monoisotopic)221.178
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBN-200 HYDROCHLORIDE|CG-5503 HYDROCHLORIDE|CG5503 HYDROCHLORIDE|NUCYNTA|NUCYNTA ER|PALEXIA|TAPENTADOL HCL|TAPENTADOL HYDROCHLORIDE
SmilesCC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl
InchiInChI=1S/C14H23NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H/t11-,14+;/m0./s1
Inchi KeyZELFLGGRLLOERW-YECZQDJWSA-N
Molecular SpeciesBASE
Targets3.0
Bioactivities22.0
Np Likeness Score-0.02
Records Key['TAPENTADOL HYDROCHLORIDE', 'Tapentadol (hydrochloride)', 'TAPENTADOL (HYDROCHLORIDE)', 'TAPENTADOL HYDROCHLORIDE', 'TAPENTADOL HYDROCHLORIDE', 'Tapentadol (hydrochloride)', 'TAPENTADOL HYDROCHLORIDE', '2']
Records Name['TAPENTADOL HYDROCHLORIDE', 'Tapentadol (hydrochloride)', 'TAPENTADOL (HYDROCHLORIDE)', 'TAPENTADOL HYDROCHLORIDE', 'TAPENTADOL HYDROCHLORIDE', 'Tapentadol (hydrochloride)', 'TAPENTADOL HYDROCHLORIDE', '(1R,2R)-3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol hydrochloride']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure