PLERIXAFOR

Search structure
Trade Names:
Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L03AX16
UNII: S915P5499N

Structure
InChI Key YIQPUIGJQJDJOS-UHFFFAOYSA-N
Smile c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H54N8
Molecular Weight 502.8
AlogP 0.42
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 78.66
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST C-X-C chemokine receptor type 4 partial agonist DailyMed
Primary Target
CXCR4
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 0-0 - - 36-87
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 1-15200 - 140-63000 53-100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma, Non-Hodgkin 4 D008228 ClinicalTrials
Granulomatous Disease, Chronic 2 D006105 ClinicalTrials
Fanconi Anemia 2 D005199 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Scleroderma, Systemic 2 D012595 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Lymphoma, T-Cell 2 D016399 ClinicalTrials
Hematologic Neoplasms 2 D019337 ClinicalTrials
Lymphopenia 2 D008231 ClinicalTrials
Gliosarcoma 2 D018316 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Anemia, Sickle Cell 2 D000755 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Diabetic Foot 1 D017719 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials
End Stage Liver Disease 1 D058625 ClinicalTrials
Graft vs Host Disease 1 D006086 ClinicalTrials
Lymphoma, Mantle-Cell 1 D020522 ClinicalTrials
Thalassemia 1 D013789 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Sarcoma 1 D012509 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Neutropenia 1 D009503 ClinicalTrials
Lymphoma, Follicular 1 D008224 ClinicalTrials

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Infections and infestations
11.92
Cardiac disorders
11.53
Blood and lymphatic system disorders
11.15
Respiratory, thoracic and mediastinal disorders
9.61
General disorders and administration site conditions
6.75
Nervous system disorders
6.32
Metabolism and nutrition disorders
5.82
Musculoskeletal and connective tissue disorders
4.61
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
4.39
Gastrointestinal disorders
4.34
Vascular disorders
4.06
Hepatobiliary disorders
3.95
Renal and urinary disorders
3.68
Investigations
3.35
Injury, poisoning and procedural complications
2.64
Skin and subcutaneous tissue disorders
2.47

Cross References

Resources Reference
CAS NUMBER 110078-46-1
ChEBI 125354
ChEMBL CHEMBL18442
DrugBank DB06809
DrugCentral 4410
EPA CompTox DTXSID70869520
FDA SRS S915P5499N
Human Metabolome Database HMDB0015681
Guide to Pharmacology 844
KEGG D08971
PharmGKB PA165958410
PubChem 65015
SureChEMBL SCHEMBL19038
ZINC ZINC000022443609
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