Bioactive Compound Details

BioIDbio2225
Name9-N-ISOBUTYL-8-ISOBUTYLOXY-MANZAMINE A
ChEMBL IDCHEMBL402273
Molecular FormulaC44H60N4O2
Molecular Weight676.99
Molecular Weight (Monoisotopic)676.4716
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesCC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CCC4[C@]4(C[C@@H]7/C=C\CCCCN7[C@H]45)C6)c3n(CC(C)C)c12
InchiInChI=1S/C44H60N4O2/c1-31(2)28-48-40-34(17-15-18-38(40)50-29-32(3)4)35-19-22-45-39(41(35)48)36-27-44(49)21-12-8-5-6-9-13-23-46-25-20-37(36)43(30-46)26-33-16-11-7-10-14-24-47(33)42(43)44/h5,8,11,15-19,22,27,31-33,37,42,49H,6-7,9-10,12-14,20-21,23-26,28-30H2,1-4H3/b8-5-,16-11-/t33-,37?,42+,43-,44-/m0/s1
Inchi KeyARTZKRLNCMHAJE-ZQBXSWGPSA-N
Molecular SpeciesBASE
Targets1.0
Bioactivities2.0
Np Likeness Score1.52
Records Key['6']
Records Name['9-N-isobutyl-8-isobutyloxy-manzamine A']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure