Bioactive Compound Details

BioIDbio3196
NamePLERIXAFOR
ChEMBL IDCHEMBL18442
Molecular FormulaC28H54N8
Molecular Weight502.8
Molecular Weight (Monoisotopic)502.4471
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAMD 3100|AMD3100|JM 3100|Mozobil|PLERIXAFOR|PLERIXAFOR HYDROCHLORIDE|PLERIXAFOR OCTAHYDROCHLORIDE|SID 791
Smilesc1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
InchiInChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Inchi KeyYIQPUIGJQJDJOS-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets72.0
Bioactivities415.0
Np Likeness Score-0.4
Records Key['37', 'AMD-3100', 'AMD3100', '1', '1, AMD-3100', 'AMD-3100', 'AMD-3100', 'AMD-3100', '10d', 'AMD-3100', '1', 'AMD-3100', '11', 'AMD-3100', '1a, AMD-3100', 'AMD-3100', '1', 'AMD-3100', 'AMD-3100', '36, AMD-3100', 'PLERIXAFOR', 'AMD-3100', 'PLERIXAFOR', 'SID174007494', 'AMD3100', 'AMD3100', 'Plerixafor', '1; AMD3100', '1', 'PLERIXAFOR', '1; AMD3100', 'Plerixafor', 'AMD3100', 'PLERIXAFOR', 'AMD3100', '1, AMD-3100', 'AMD3100', 'AMD-3100', 'AMD-3100', 'AMD3100', 'AMD3100', 'AMD-3100', '1; AMD3100; Plerixafor', 'AMD-3100', 'Plerixafor', 'AMD-3100', 'PLERIXAFOR', 'SID29217477', 'Plerixafor (octahydrochloride)', 'Plerixafor', 'AMD3100', 'AMD-3100', 'PLERIXAFOR', 'AMD3100', 'AMD3100', 'BDBM50035696', 'AMD3100', 'AMD3100; 15c; 16c', 'AMD3100', 'AMD3100', 'AMD3100', 'Plerixafor', 'Plerixafor (octahydrochloride)', '1; AMD3100', 'AMD3100', 'AMD3100', 'Plerixafor', 'AMD3100', 'MMV1580502', 'AMD3100', 'plerixafor', 'PLERIXAFOR', 'AMD3100', 'AMD3100', '24', '1; AMD3100', 'AMD3100', 'AMD3100', 'Cpd I; AMD3100', 'AMD3100', 'AMD3100']
Records Name['11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', '1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane', 1,1'-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}", 'AMD-3100', 'AMD-3100', '1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane', '1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane', 'AMD-3100', "11'-xylyl bis-1,4,8,11-tetraazacyclotetradecane", '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', 'AMD-3100', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', 'AMD-3100', 'AMD-3100', 'AMD-3100', 'AMD-3100', "1,1'-[1,4-phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetracene", 'Plerixafor', 'PLERIXAFOR', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', 'PLERIXAFOR', 'SID174007494', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', 'Plerixafor', 'Plerixafor', 'Plerixafor', 'PLERIXAFOR', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', 'Plerixafor', 'AMD3100', 'PLERIXAFOR', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', 'Plerixafor', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', 'Plerixafor', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', "1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]", '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', 'Plerixafor', 'AMD-3100', 'PLERIXAFOR', 'SID29217477', 'Plerixafor (octahydrochloride)', 'Plerixafor', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', 'PLERIXAFOR', 'Plerixafor', '1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene', "1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]meth
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure