| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 612K359T69 |
| Parent Compound: | ALVESPIMYCIN |
Structure
| InChI Key | DFSYBWLNYPEFJK-IHLRWNDRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C32H49ClN4O8 |
| Molecular Weight | 653.22 |
| AlogP | 1.91 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 169.52 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 44.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Other cytosolic protein
|
- | - | - | - | 97-100 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Leukemia, Lymphocytic, Chronic, B-Cell | 1 | D015451 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Leukemia, Prolymphocytic | 1 | D015463 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2105630 |
| EPA CompTox | DTXSID40431773 |
| FDA SRS | 612K359T69 |
| PubChem | 9852573 |
CONTENTS