Bioactive Compound Details

BioIDbio2185
NameNABAZENIL
ChEMBL IDCHEMBL2107661
Molecular FormulaC35H55NO3
Molecular Weight537.83
Molecular Weight (Monoisotopic)537.4182
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNABAZENIL|SP-175
SmilesCCCCCC(C)C(C)c1cc(OC(=O)CCCN2CCCCCC2)c2c(c1)OC(C)(C)C1=C2CC(C)CC1
InchiInChI=1S/C35H55NO3/c1-7-8-11-15-26(3)27(4)28-23-31(38-33(37)16-14-21-36-19-12-9-10-13-20-36)34-29-22-25(2)17-18-30(29)35(5,6)39-32(34)24-28/h23-27H,7-22H2,1-6H3
Inchi KeyDRVZFWZGQKGHQO-UHFFFAOYSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score0.49
Records Key['NABAZENIL']
Records Name['NABAZENIL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure