1.0 2016-05-25 18:30:11 UTC 2026-08-22 08:42:56 UTC Plerixafor SmallMolecule Plerixafor belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 502.78 g/mol, Plerixafor is a heavy molecule with the chemical formula C28H54N8. It functions as an antagonist and inhibitor of the protein target C-X-C chemokine receptor type 4 (CXCR4). The compound is utilized as a treatment for leukemia (PMC7604327) and multiple myeloma (PMC5796097, PMC7598520). Plerixafor is found in or released from five recorded sources: immunostimulants within healthcare, pharmaceuticals, and veterinary products; non electric simulated smoking devices within household cleaning and consumer products; and electrical and electronic equipment, specifically video games, television systems, and line transmission systems. The recorded route of exposure for this compound is subcutaneous. C28H54N8 502.782 502.447143768 1-{[4-(1,4,8,11-tetraazacyclotetradecan-1-ylmethyl)phenyl]methyl}-1,4,8,11-tetraazacyclotetradecane plerixafor 110078-46-1 C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1 InChI=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 YIQPUIGJQJDJOS-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenylmethylamines Phenylmethylamines Aralkylamines Azacyclic compounds Benzylamines Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Trialkylamines Amine Aralkylamine Aromatic heteromonocyclic compound Azacycle Benzylamine Hydrocarbon derivative Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Phenylmethylamine Secondary aliphatic amine Secondary amine Tertiary aliphatic amine Tertiary amine Aromatic heteromonocyclic compounds Detected and Not Quantified Plerixafor Drug Metabolism SMP0130894 Plerixafor Drug Metabolism Action Pathway SMP0144142 logp -0.43 logp 0.62 ALOGPS logs -4.03 ALOGPS solubility 4.72e-02 g/l ALOGPS logp -0.43 ChemAxon pka_strongest_basic 10.54 ChemAxon iupac 1-{[4-(1,4,8,11-tetraazacyclotetradecan-1-ylmethyl)phenyl]methyl}-1,4,8,11-tetraazacyclotetradecane ChemAxon average_mass 502.782 ChemAxon mono_mass 502.447143768 ChemAxon smiles C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1 ChemAxon formula C28H54N8 ChemAxon inchi InChI=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 ChemAxon inchikey YIQPUIGJQJDJOS-UHFFFAOYSA-N ChemAxon polar_surface_area 78.66 ChemAxon refractivity 155.01 ChemAxon polarizability 60.51 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 4 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3c12f00> DB06809 65015 58531 BE0000919