Bioactive Compound Details

BioIDbio2900
NameVAMIFEPORT HYDROCHLORIDE
ChEMBL IDCHEMBL4475199
Molecular FormulaC21H24Cl3FN6O2
Molecular Weight517.82
Molecular Weight (Monoisotopic)408.171
TypeSmall molecule
Max PhasePhase 1
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsVAMIFEPORT HYDROCHLORIDE|VAMIFEPORT TRIHYDROCHLORIDE|VIT-2763 3HCl|VIT-2763 trihydrochloride
SmilesCl.Cl.Cl.O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
InchiInChI=1S/C21H21FN6O2.3ClH/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19;;;/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27);3*1H
Inchi KeyZBVCLZMNYXJVMV-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets4.0
Bioactivities57.0
Np Likeness Score-1.7
Records Key['127; Ex 127', 'VAMIFEPORT HYDROCHLORIDE']
Records Name['2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide trihydrochloride', 'VAMIFEPORT HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure