Bioactive Compound Details

BioIDbio2474
NameN- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE
ChEMBL IDCHEMBL152028
Molecular FormulaC21H23NO4
Molecular Weight353.42
Molecular Weight (Monoisotopic)353.1627
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesCC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InchiInChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
Inchi KeyCBPJQFCAFFNICX-LJQANCHMSA-N
Molecular SpeciesACID
Targets16.0
Bioactivities23.0
Np Likeness Score-0.18
Records Key['B4', 'SID11113638', 'N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE', 'NPC-15199', 'NPC-15199', 'NPC-15199', 'NPC-15199', '176272807']
Records Name['2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoic acid', 'SID11113638', 'N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE', 'NPC-15199', 'NPC-15199', 'NPC-15199', 'NPC-15199', 'N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure