X4P-001

Ligand id: 8580

Name: X4P-001

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 70.83
Molecular weight 349.23
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(1H-benzimidazol-2-ylmethyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Synonyms
AMD 070 | AMD-070 | AMD-11070 | compound 2 [PMID: 20297846] | X4P-001-LD
Database Links
CAS Registry No. 558447-26-0 (source: PubChem)
ChEMBL Ligand CHEMBL518924
PubChem CID 11256587
Search Google for chemical match using the InChIKey WVLHHLRVNDMIAR-IBGZPJMESA-N
Search Google for chemicals with the same backbone WVLHHLRVNDMIAR
Search UniChem for chemical match using the InChIKey WVLHHLRVNDMIAR-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone WVLHHLRVNDMIAR
Comments
AMD070 is a potent, selective and bioavailable CXCR4 chemokine receptor antagonist [1]. Originally developed for HIV treatment, it has now being repurposed by X4 Pharmaceuticals as X4P-001 for the treatment of WHIM syndrome, a sub-type of a primary immunodeficiency disease caused by CXCR4 mutations. The compound is exemplified in a process patent US7332605 and as compound 89 from a series of 169 analogues in WO2003055876 but neither filing includes activity data.