| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2008) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L03AX16 |
| UNII: | S915P5499N |
Structure
| InChI Key | YIQPUIGJQJDJOS-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
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 |
| Primary Target | |
|---|---|
| CXCR4 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Anemia, Sickle Cell | 2 | D000755 | ClinicalTrials |
| Granulomatous Disease, Chronic | 2 | D006105 | ClinicalTrials |
| Fanconi Anemia | 2 | D005199 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 2 | D016403 | ClinicalTrials |
| Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
| Scleroderma, Systemic | 2 | D012595 | 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 |
| Blood Platelet Disorders | 1 | D001791 | ClinicalTrials |
| Graft vs Host Disease | 1 | D006086 | ClinicalTrials |
| End Stage Liver Disease | 1 | D058625 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 1 | D015451 | ClinicalTrials |
| Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
| Leukemia | 1 | D007938 | ClinicalTrials |
| Diabetic Foot | 1 | D017719 | 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 |
| Syndrome | 1 | D013577 | ClinicalTrials |
| Diabetes Mellitus, Type 1 | 1 | D003922 | ClinicalTrials |
| Leukemia, Biphenotypic, Acute | 1 | D015456 | ClinicalTrials |
| beta-Thalassemia | 1 | D017086 | ClinicalTrials |
| Glioblastoma | 1 | D005909 | ClinicalTrials |
Adverse Reactions
System Organ Classification (SOC)
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 | HMDB15681 |
| Guide to Pharmacology | 844 |
| KEGG | D08971 |
| PharmGKB | PA165958410 |
| PubChem | 65015 |
| SureChEMBL | SCHEMBL19038 |
| ZINC | ZINC000022443609 |
CONTENTS