Molecule Details
| InChIKey | YIQPUIGJQJDJOS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Plerixafor |
| Canonical SMILES | c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06809 |
|---|---|
| Drug Name | Plerixafor |
| CAS Number | 110078-46-1 |
| Groups | approved investigational |
| ATC Codes | L03AX16 |
| Description | Plerixafor is a small-molecule inhibitor of C-X-C chemokine receptor type 4 (CXCR4) that acts as a hematopoietic stem cell mobilizer.[A7117,L45678] It is used to stimulate the release of stem cells from the bone marrow into the blood in patients with non-Hodgkin's lymphoma (NHL) and multiple myeloma... |
Categories: Adjuvants, Immunologic Amines Anti-HIV Agents Anti-Infective Agents Antineoplastic and Immunomodulating Agents Benzene Derivatives Benzyl Compounds Drugs that are Mainly Renally Excreted Hematinics Hematopoietic Stem Cell Mobilizer Increased Hematopoietic Stem Cell Mobilization Polyamines
Cross-references: BindingDB: 50035696 ChEBI: 125354 CHEMBL18442 ChemSpider: 58531 Drugs Product Database (DPD): 21077 Guide to Pharmacology: 844 IUPHAR: 844 D08971 PDB: VH6 PharmGKB: PA165958410 PubChem:65015 PubChem:99443297 RxCUI: 733003 Wikipedia: Plerixafor ZINC: ZINC000022443609
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41597 | CCR2 | Homo sapiens | Human | PF00001 | 10.2 | IC50 | ChEMBL;BindingDB |
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL |
| P48061 | CXCL12 | Homo sapiens | Human | PF00048 | 7.2 | IC50 | ChEMBL |
| P61073 | CXCR4 | Homo sapiens | Human | PF00001 PF12109 | 6.7 | IC50 | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |