plerixafor

Ligand id: 844

Name: plerixafor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 4
Topological polar surface area 78.66
Molecular weight 502.45
XLogP 0.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2008), EMA (2009))
IUPAC Name
1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
International Nonproprietary Names
INN number INN
8513 plerixafor
Synonyms
AMD 3100 | AMD3100 | bicyclam JM-2987 | JM 3100 | Mozobil®
Database Links
BindingDB Ligand 50035696
CAS Registry No. 110078-46-1 (source: Scifinder)
ChEMBL Ligand CHEMBL18442
DrugBank Ligand DB06809
GtoPdb PubChem SID 135649932
PubChem CID 65015
Search Google for chemical match using the InChIKey YIQPUIGJQJDJOS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YIQPUIGJQJDJOS
Search PubMed clinical trials plerixafor
Search PubMed titles plerixafor
Search PubMed titles/abstracts plerixafor
Search UniChem for chemical match using the InChIKey YIQPUIGJQJDJOS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YIQPUIGJQJDJOS
Wikipedia Plerixafor
Comments
Plerixafor (AMD3100) is an antagonist of the chemokine (C-X-C motif) receptor 4 (CXCR4) [5]. It acts as a stem cell mobiliser.