| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | O3MNS8782H |
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C30H38ClN7O3 |
| Molecular Weight | 580.13 |
| AlogP | 3.84 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 114.88 |
| Molecular species | None |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 41.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | ALK tyrosine kinase receptor inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
TKL protein kinase group
TKL protein kinase STKR family
TKL protein kinase STKR Type 1 subfamily
|
- | 3.1-175 | 1.1-3.3 | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Fak family
|
- | 2-80 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase InsR family
|
- | 65-2000 | - | - | - | |
|
Enzyme
Transferase
|
- | - | - | - | -0.03769-1.79 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 11.46-82.99 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1391712-60-9 |
| ChEMBL | CHEMBL3545051 |
| FDA SRS | O3MNS8782H |
| Guide to Pharmacology | 9698 |
| PubChem | 71721648 |
CONTENTS