| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 5J61HSP0QJ |
Structure
| InChI Key | RCLQNICOARASSR-SECBINFHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H15F2IN4O4 |
| Molecular Weight | 504.23 |
| AlogP | 1.07 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 109.38 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Primary Target | |
|---|---|
| mitogen-activated protein kinase kinase 1 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
STE protein kinase group
STE protein kinase STE7 family
|
- | 2-7 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Melanoma | 1 | D008545 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1035555-63-5 |
| ChEMBL | CHEMBL1615025 |
| DrugBank | DB12241 |
| EPA CompTox | DTXSID20648089 |
| FDA SRS | 5J61HSP0QJ |
| Guide to Pharmacology | 9911 |
| PDB | IZG |
| PubChem | 24963252 |
| SureChEMBL | SCHEMBL1528606 |
| ZINC | ZINC000043196550 |
CONTENTS